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RECEPTOR
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STRUCTURE
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SIGNAL PROTEIN
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AUXILIARY PROTEIN
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STRUCTURE LIGAND
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ENDOGENOUS LIGAND
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SODIUM ION SITE
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REFERENCE
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ANNOTATED
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UniProt
|
IUPHAR | Receptor family | Cl. | Species | Method |
PDB
|
Refined structure |
Resolution | Preferred chain |
State | Degree active (%) |
% of Seq | Family | Subtype | Note | % of Seq | Fusion | Antibodies | Name | Type | Function | Name | Type | D2x50 S3x39 |
Sodium in structure |
Authors | Reference | PDB Date | ||
STE2 | STE2 | STE2 | D1 (Ste2-like fungal pheromone) | strain ATCC 204508 / S288c | cryo-EM | 7AD3 | - | 3.5 | A | Active | - | 69 | GPa1 | αPa1 | Two alpha subunits bound to STE2 dimer | 29 | - | - |
Alpha-factor mating pheromone
pubchem
|
peptide | Agonist | - | - | No | No | Velazhahan V, Ma N, Pándy-Szekeres G, Kooistra AJ, Lee Y, Gloriam DE, Vaidehi N, Tate CG | 10.1038/S41586-020-2994-1 | 2020-12-09 | Yes | |
CNR2 | CB2 | Cannabinoid | A (Rhodopsin) | Human | X-ray | 5ZTY | 5ZTY_refined | 2.8 | A | Inactive | 6 | 80 | - | - | - | - | T4-Lysozyme | - |
AM10257
pubchem
|
small molecule | Antagonist | 2-arachidonoylglycerol, anandamide | small molecule | Yes | No | Li X, Hua T, Vemuri K, Ho J, Wu Y, Wu L, Popov P, Benchama O, Zvonok N, Locke K, Qu L, Han GW, Iyer MR, Cinar R, Coffey NJ, Wang J, Wu M, Katritch V, Zhao S, Kunos G, Bohn LM, Makriyannis A, Stevens RC, Liu Z | 10.1016/J.CELL.2018.12.011 | 2019-01-30 | Yes | |
PE2R3 | EP3 | Prostanoid | A (Rhodopsin) | Human | X-ray | 6AK3 | 6AK3_refined | 2.9 | B | Active | 91 | 69 | - | - | - | - | BRIL | - |
Prostaglandin E2
pubchem
chembl_ligand
|
small molecule | Agonist | PGE1, PGD2, PGE2, PGF2α, PGI2 | small molecule | Yes | No | Morimoto K, Suno R, Hotta Y, Yamashita K, Hirata K, Yamamoto M, Narumiya S, Iwata S, Kobayashi T | 10.1038/S41589-018-0171-8 | 2018-12-05 | Yes | |
OXYR | OT | Vasopressin and oxytocin | A (Rhodopsin) | Human | X-ray | 6TPK | 6TPK_refined | 3.2 | A | Inactive | 21 | 68 | - | - | - | - | GIgA glycogen synthase | - |
Retosiban
pubchem
|
small molecule | Antagonist | vasopressin, oxytocin | peptide | Yes | No | Waltenspühl Y, Schöppe J, Ehrenmann J, Kummer L, Plückthun A | 10.1126/SCIADV.ABB5419 | 2020-08-05 | Yes | |
OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | X-ray | 1GZM | 1GZM_refined | 2.7 | A | Intermediate | 39 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
pubchem
|
small molecule | Inverse agonist | Retinal | small molecule | No | No | Li J, Edwards PC, Burghammer M, Villa C, Schertler GF | 10.1016/J.JMB.2004.08.090 | 2003-11-20 | Yes | |
5HT1B | 5-HT1B | 5-Hydroxytryptamine | A (Rhodopsin) | Human | cryo-EM | 6G79 | - | 3.8 | S | Active | 100 | 67 | Gi/o | αo | - | 59 | - | - |
Donitriptan
pubchem
|
small molecule | Agonist | 5-hydroxytryptamine, tryptamine, 5-HT-moduline | small molecule | Yes | No | García-Nafría J, Nehmé R, Edwards PC, Tate CG | 10.1038/S41586-018-0241-9 | 2018-06-20 | Yes | |
Q9WTK1 | BLT1 | Leukotriene | A (Rhodopsin) | Guinea pig | X-ray | 5X33 | 5X33_refined | 3.7 | A | Inactive | 7 | 78 | - | - | - | - | T4-Lysozyme | - |
BIIL-260
pubchem
|
small molecule | Antagonist | 20-hydroxy-LTB4, 12R-HETE, LTB4 | small molecule | Yes | No | Hori T, Okuno T, Hirata K, Yamashita K, Kawano Y, Yamamoto M, Hato M, Nakamura M, Shimizu T, Yokomizo T, Miyano M, Yokoyama S | 10.1038/NCHEMBIO.2547 | 2018-01-03 | Yes | |
ADA2B | α2B | Adrenoceptors | A (Rhodopsin) | Human | cryo-EM | 6K42 | - | 4.1 | R | Active | 100 | 60 | Gi/o | αi1 | - | 62 | T4-Lysozyme | scFv |
Dexmedetomidine
pubchem
|
small molecule | Agonist | (-)-adrenaline, (-)-noradrenaline | small molecule | Yes | No | Yuan D, Liu Z, Kaindl J, Maeda S, Zhao J, Sun X, Xu J, Gmeiner P, Wang H, Kobilka BK | 10.1038/S41589-020-0492-2 | 2020-04-15 | Yes | |
ADA2B | α2B | Adrenoceptors | A (Rhodopsin) | Human | cryo-EM | 6K41 | - | 2.9 | R | Active | 100 | 54 | Gi/o | αo | - | 60 | T4-Lysozyme | scFv |
Dexmedetomidine
pubchem
|
small molecule | Agonist | (-)-adrenaline, (-)-noradrenaline | small molecule | Yes | No | Yuan D, Liu Z, Kaindl J, Maeda S, Zhao J, Sun X, Xu J, Gmeiner P, Wang H, Kobilka BK | 10.1038/S41589-020-0492-2 | 2020-04-15 | Yes | |
PTH1R | PTH1 | Parathyroid hormone | B1 (Secretin) | Human | cryo-EM | 6NBI | 6NBI_refined | 4.0 | R | Active | 100 | 62 | Gs | αs | - | 56 | - | Nanobody-35 |
Long-acting parathyroid hormone analog
|
peptide | Agonist | PTHrP, TIP39, PTH, PTHrP-(1-36) | protein | No | No | Zhao L, Ma S, Sutkeviciute I, Shen D, Zhou XE, de Waal PW, Li C, Kang Y, Clark LJ, Jean-Alphonse FG, White AD, Yang D, Dai A, Cai X, Chen J, Li C, Jiang Y, Watanabe T, Gardella TJ, Melcher K, Wang M, Vilardaga J, Xu HE, Zhang Y | 10.1126/SCIENCE.AAV7942 | 2019-04-17 | Yes | |
PTH1R | PTH1 | Parathyroid hormone | B1 (Secretin) | Human | cryo-EM | 6NBF | 6NBF_refined | 3.0 | R | Active | 100 | 62 | Gs | αs | - | 58 | - | Nanobody-35 |
Long-acting parathyroid hormone analog
|
peptide | Agonist | PTHrP, TIP39, PTH, PTHrP-(1-36) | protein | No | No | Zhao L, Ma S, Sutkeviciute I, Shen D, Zhou XE, de Waal PW, Li C, Kang Y, Clark LJ, Jean-Alphonse FG, White AD, Yang D, Dai A, Cai X, Chen J, Li C, Jiang Y, Watanabe T, Gardella TJ, Melcher K, Wang M, Vilardaga J, Xu HE, Zhang Y | 10.1126/SCIENCE.AAV7942 | 2019-04-17 | Yes | |
PTH1R | PTH1 | Parathyroid hormone | B1 (Secretin) | Human | cryo-EM | 6NBH | 6NBH_refined | 3.5 | R | Active | 100 | 64 | Gs | αs | - | 57 | - | Nanobody-35 |
Long-acting parathyroid hormone analog
|
peptide | Agonist | PTHrP, TIP39, PTH, PTHrP-(1-36) | protein | No | No | Zhao L, Ma S, Sutkeviciute I, Shen D, Zhou XE, de Waal PW, Li C, Kang Y, Clark LJ, Jean-Alphonse FG, White AD, Yang D, Dai A, Cai X, Chen J, Li C, Jiang Y, Watanabe T, Gardella TJ, Melcher K, Wang M, Vilardaga J, Xu HE, Zhang Y | 10.1126/SCIENCE.AAV7942 | 2019-04-17 | Yes | |
CCR2 | CCR2 | Chemokine | A (Rhodopsin) | Human | X-ray | 5T1A | 5T1A_refined | 2.8 | A | Inactive | 24 | 71 | - | - | - | - | T4-Lysozyme | - |
GTPL9431
pubchem
BMS-681 pubchem |
small molecule small molecule |
NAM Antagonist |
CCL16, CCL7, CCL13, CCL8, CCL24, CCL2, CCL11, CCL26 | protein | No | No | Zheng Y, Qin L, Zacarías NVO, de Vries H, Han GW, Gustavsson M, Dabros M, Zhao C, Cherney RJ, Carter P, Stamos D, Abagyan R, Cherezov V, Stevens RC, IJzerman AP, Heitman LH, Tebben A, Kufareva I, Handel TM | 10.1038/NATURE20605 | 2016-12-14 | Yes | |
CXCR2 | CXCR2 | Chemokine | A (Rhodopsin) | Human | X-ray | 6LFL | 6LFL_refined | 3.2 | A | Inactive | 8 | 76 | - | - | - | - | GIgA glycogen synthase | - |
4-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide
pubchem
|
small molecule | NAM | CXCL6, CXCL8, CXCL1, CXCL2, CXCL3, CXCL5, CXCL7 | protein | No | No | Liu K, Wu L, Yuan S, Wu M, Xu Y, Sun Q, Li S, Zhao S, Hua T, Liu Z | 10.1038/S41586-020-2492-5 | 2020-09-02 | Yes | |
CXCR2 | CXCR2 | Chemokine | A (Rhodopsin) | Human | cryo-EM | 6LFO | 6LFO_refined | 3.4 | R | Active | 100 | 85 | Gi/o | αi1 | - | 65 | - | scFv16 |
Interleukin-8
pubchem
|
protein | Agonist | CXCL6, CXCL8, CXCL1, CXCL2, CXCL3, CXCL5, CXCL7 | protein | No | No | Liu K, Wu L, Yuan S, Wu M, Xu Y, Sun Q, Li S, Zhao S, Hua T, Liu Z | 10.1038/S41586-020-2492-5 | 2020-09-02 | Yes | |
CXCR2 | CXCR2 | Chemokine | A (Rhodopsin) | Human | cryo-EM | 6LFM | 6LFM_refined | 3.5 | R | Active | 100 | 85 | Gi/o | αi1 | - | 65 | - | scFv16 |
Interleukin-8
pubchem
|
protein | Agonist | CXCL6, CXCL8, CXCL1, CXCL2, CXCL3, CXCL5, CXCL7 | protein | No | No | Liu K, Wu L, Yuan S, Wu M, Xu Y, Sun Q, Li S, Zhao S, Hua T, Liu Z | 10.1038/S41586-020-2492-5 | 2020-09-02 | Yes | |
PAR2 | PAR2 | Proteinase-activated | A (Rhodopsin) | Human | X-ray | 5NDD | 5NDD_refined | 2.8 | A | Intermediate | 51 | 74 | - | - | - | - | T4-Lysozyme | - |
AZ8838
pubchem
|
small molecule | Antagonist | thrombin | protein | Yes | Yes | Cheng RKY, Fiez-Vandal C, Schlenker O, Edman K, Aggeler B, Brown DG, Brown GA, Cooke RM, Dumelin CE, Doré AS, Geschwindner S, Grebner C, Hermansson N, Jazayeri A, Johansson P, Leong L, Prihandoko R, Rappas M, Soutter H, Snijder A, Sundström L, Tehan B, Thornton P, Troast D, Wiggin G, Zhukov A, Marshall FH, Dekker N | 10.1038/NATURE22309 | 2017-05-03 | Yes | |
PAR2 | PAR2 | Proteinase-activated | A (Rhodopsin) | Human | X-ray | 5NDZ | 5NDZ_refined | 3.6 | A | Intermediate | 51 | 74 | - | - | - | - | T4-Lysozyme | - |
AZ3451
pubchem
|
small molecule | Antagonist | thrombin | protein | Yes | Yes | Cheng RKY, Fiez-Vandal C, Schlenker O, Edman K, Aggeler B, Brown DG, Brown GA, Cooke RM, Dumelin CE, Doré AS, Geschwindner S, Grebner C, Hermansson N, Jazayeri A, Johansson P, Leong L, Prihandoko R, Rappas M, Soutter H, Snijder A, Sundström L, Tehan B, Thornton P, Troast D, Wiggin G, Zhukov A, Marshall FH, Dekker N | 10.1038/NATURE22309 | 2017-05-03 | Yes | |
PAR2 | PAR2 | Proteinase-activated | A (Rhodopsin) | Human | X-ray | 5NJ6 | 5NJ6_refined | 4.0 | A | Intermediate | 51 | 74 | - | - | - | - | BRIL | Fab3949 | - | - | - | thrombin | protein | Yes | No | Cheng RKY, Fiez-Vandal C, Schlenker O, Edman K, Aggeler B, Brown DG, Brown GA, Cooke RM, Dumelin CE, Doré AS, Geschwindner S, Grebner C, Hermansson N, Jazayeri A, Johansson P, Leong L, Prihandoko R, Rappas M, Soutter H, Snijder A, Sundström L, Tehan B, Thornton P, Troast D, Wiggin G, Zhukov A, Marshall FH, Dekker N | 10.1038/NATURE22309 | 2017-05-03 | Yes | |
Q08BG4 | LPA6 | Lysophospholipid (LPA) | A (Rhodopsin) | Zebrafish | X-ray | 5XSZ | 5XSZ_refined | 3.2 | A | Intermediate | 51 | 78 | - | - | - | - | T4-Lysozyme | - | - | - | - | LPA | small molecule | Yes | No | Taniguchi R, Inoue A, Sayama M, Uwamizu A, Yamashita K, Hirata K, Yoshida M, Tanaka Y, Kato HE, Nakada-Nakura Y, Otani Y, Nishizawa T, Doi T, Ohwada T, Ishitani R, Aoki J, Nureki O | 10.1038/NATURE23448 | 2017-08-16 | Yes | |
ACM3 | M3 | Acetylcholine (muscarinic) | A (Rhodopsin) | Rat | X-ray | 5ZHP | 5ZHP_refined | 3.1 | B | Inactive | 4 | 47 | - | - | - | - | T4-Lysozyme | - |
(1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium
pubchem
|
small molecule | Antagonist | acetylcholine | small molecule | No | No | Liu H, Hofmann J, Fish I, Schaake B, Eitel K, Bartuschat A, Kaindl J, Rampp H, Banerjee A, Hübner H, Clark MJ, Vincent SG, Fisher JT, Heinrich MR, Hirata K, Liu X, Sunahara RK, Shoichet BK, Kobilka BK, Gmeiner P | 10.1073/PNAS.1813988115 | 2018-11-28 | Yes | |
OPRD | δ | Opioid | A (Rhodopsin) | Human | X-ray | 4N6H | 4N6H_refined | 1.8 | A | Inactive | 7 | 81 | - | - | - | - | BRIL | - |
Naltrindole
pubchem
|
small molecule | Antagonist | α-neoendorphin, [Leu]enkephalin, [Met]enkephalin, dynorphin A-(1-13), dynorphin A, dynorphin A-(1-8), dynorphin B, endomorphin-1, β-endorphin | peptide | Yes | Yes | Fenalti G, Giguere PM, Katritch V, Huang X, Thompson AA, Cherezov V, Roth BL, Stevens RC | 10.1038/NATURE12944 | 2013-12-25 | Yes | |
GRM5 | mGlu5 | Metabotropic glutamate | C (Glutamate) | Human | X-ray | 4OO9 | 4OO9_refined | 2.6 | A | Inactive | 13 | 20 | - | - | - | - | T4-Lysozyme | - |
Mavoglurant
pubchem
|
small molecule | NAM | L-glutamic acid | small molecule | No | No | Doré AS, Okrasa K, Patel JC, Serrano-Vega M, Bennett K, Cooke RM, Errey JC, Jazayeri A, Khan S, Tehan B, Weir M, Wiggin GR, Marshall FH | 10.1038/NATURE13396 | 2014-07-02 | Yes | |
NTR1 | NTS1 | Neurotensin | A (Rhodopsin) | Human | cryo-EM | 6OS9 | 6OS9_refined | 3.0 | R | Active | 100 | 73 | Gi/o | αi1 | - | 62 | - | scFv16 |
JMV449
pubchem
|
peptide | Agonist | neurotensin, large neurotensin, neuromedin N, large neuromedin N | peptide | Yes | No | Kato HE, Zhang Y, Hu H, Suomivuori C, Kadji FMN, Aoki J, Krishna Kumar K, Fonseca R, Hilger D, Huang W, Latorraca NR, Inoue A, Dror RO, Kobilka BK, Skiniotis G | 10.1038/S41586-019-1337-6 | 2019-07-10 | Yes | |
NTR1 | NTS1 | Neurotensin | A (Rhodopsin) | Human | cryo-EM | 6OSA | 6OSA_refined | 3.0 | R | Active | 100 | 77 | Gi/o | αi1 | Non-canonical conformation | 62 | - | - |
JMV449
pubchem
|
peptide | Agonist | neurotensin, large neurotensin, neuromedin N, large neuromedin N | peptide | Yes | No | Kato HE, Zhang Y, Hu H, Suomivuori C, Kadji FMN, Aoki J, Krishna Kumar K, Fonseca R, Hilger D, Huang W, Latorraca NR, Inoue A, Dror RO, Kobilka BK, Skiniotis G | 10.1038/S41586-019-1337-6 | 2019-07-10 | Yes | |
CRFR1 | CRF1 | Corticotropin-releasing factor | B1 (Secretin) | Human | cryo-EM | 6PB0 | 6PB0_refined | 3.0 | R | Active | 100 | 68 | Gs | αs | Gs-Gi1 chimera | 58 | - | Nanobody-35 |
Urocortin
pubchem
chembl_ligand
|
peptide | Agonist | urocortin 2, corticotrophin-releasing hormone, urocortin 1 | peptide | No | No | Ma S, Shen Q, Zhao L, Mao C, Zhou XE, Shen D, de Waal PW, Bi P, Li C, Jiang Y, Wang M, Sexton PM, Wootten D, Melcher K, Zhang Y, Xu HE | 10.1016/J.MOLCEL.2020.01.013 | 2020-02-12 | Yes | |
CRFR2 | CRF2 | Corticotropin-releasing factor | B1 (Secretin) | Human | cryo-EM | 6PB1 | 6PB1_refined | 2.8 | P | Active | 100 | 68 | Gs | αs | - | 58 | - | Nanobody-35 |
Urocortin
pubchem
chembl_ligand
|
peptide | Agonist | urocortin 2, corticotrophin-releasing hormone, urocortin 1, urocortin 3 | peptide | No | No | Ma S, Shen Q, Zhao L, Mao C, Zhou XE, Shen D, de Waal PW, Bi P, Li C, Jiang Y, Wang M, Sexton PM, Wootten D, Melcher K, Zhang Y, Xu HE | 10.1016/J.MOLCEL.2020.01.013 | 2020-02-12 | Yes | |
DRD2 | D2 | Dopamine | A (Rhodopsin) | Human | X-ray | 6CM4 | 6CM4_refined | 2.9 | A | Inactive | 0 | 59 | - | - | - | - | T4-Lysozyme | - |
Risperidone
pubchem
chembl_ligand
|
small molecule | Inverse agonist | dopamine | small molecule | Yes | No | Wang S, Che T, Levit A, Shoichet BK, Wacker D, Roth BL | 10.1038/NATURE25758 | 2018-03-14 | Yes | |
OPRM | μ | Opioid | A (Rhodopsin) | Mouse | X-ray | 4DKL | 4DKL_refined | 2.8 | A | Inactive | 7 | 71 | - | - | - | - | T4-Lysozyme | - |
Methyl 4-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoate
pubchem
|
small molecule | Antagonist | [Leu]enkephalin, [Met]enkephalin, dynorphin A-(1-13), dynorphin A, dynorphin A-(1-8), dynorphin B, endomorphin-1, β-endorphin, endomorphin-2 | peptide | Yes | No | Manglik A, Kruse AC, Kobilka TS, Thian FS, Mathiesen JM, Sunahara RK, Pardo L, Weis WI, Kobilka BK, Granier S | 10.1038/NATURE10954 | 2012-03-21 | Yes | |
5HT2A | 5-HT2A | 5-Hydroxytryptamine | A (Rhodopsin) | Human | X-ray | 6A94 | 6A94_refined | 2.9 | A | Inactive | 1 | 60 | - | - | - | - | BRIL | - |
Zotepine
pubchem
chembl_ligand
|
small molecule | Antagonist | 5-hydroxytryptamine, tryptamine | small molecule | No | No | Kimura KT, Asada H, Inoue A, Kadji FMN, Im D, Mori C, Arakawa T, Hirata K, Nomura Y, Nomura N, Aoki J, Iwata S, Shimamura T | 10.1038/S41594-018-0180-Z | 2019-02-13 | Yes | |
5HT2A | 5-HT2A | 5-Hydroxytryptamine | A (Rhodopsin) | Human | X-ray | 6A93 | 6A93_refined | 3.0 | A | Inactive | 1 | 60 | - | - | - | - | BRIL | - |
Risperidone
pubchem
chembl_ligand
|
small molecule | Antagonist | 5-hydroxytryptamine, tryptamine | small molecule | No | No | Kimura KT, Asada H, Inoue A, Kadji FMN, Im D, Mori C, Arakawa T, Hirata K, Nomura Y, Nomura N, Aoki J, Iwata S, Shimamura T | 10.1038/S41594-018-0180-Z | 2019-02-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | X-ray | 5JQH | 5JQH_refined | 3.2 | A | Inactive | 0 | 69 | - | - | - | - | T4-Lysozyme | Nanobody |
Carazolol
pubchem
|
small molecule | Inverse agonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline, Zn2+ | small molecule | Yes | No | Staus DP, Strachan RT, Manglik A, Pani B, Kahsai AW, Kim TH, Wingler LM, Ahn S, Chatterjee A, Masoudi A, Kruse AC, Pardon E, Steyaert J, Weis WI, Prosser RS, Kobilka BK, Costa T, Lefkowitz RJ | 10.1038/NATURE18636 | 2016-07-13 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | X-ray | 5ZKC | 5ZKC_refined | 2.3 | A | Inactive | 4 | 60 | - | - | - | - | - | - |
N-methyl scopolamine
pubchem
|
small molecule | Antagonist | acetylcholine | small molecule | No | No | Suno R, Lee S, Maeda S, Yasuda S, Yamashita K, Hirata K, Horita S, Tawaramoto MS, Tsujimoto H, Murata T, Kinoshita M, Yamamoto M, Kobilka BK, Vaidehi N, Iwata S, Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | X-ray | 5ZK8 | 5ZK8_refined | 3.0 | A | Inactive | 4 | 59 | - | - | - | - | - | - |
N-methyl scopolamine
pubchem
|
small molecule | Antagonist | acetylcholine | small molecule | Yes | No | Suno R, Lee S, Maeda S, Yasuda S, Yamashita K, Hirata K, Horita S, Tawaramoto MS, Tsujimoto H, Murata T, Kinoshita M, Yamamoto M, Kobilka BK, Vaidehi N, Iwata S, Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | X-ray | 5YC8 | 5YC8_refined | 2.5 | A | Inactive | 4 | 60 | - | - | - | - | - | - |
N-methyl scopolamine
pubchem
|
small molecule | Antagonist | acetylcholine | small molecule | No | No | Suno R, Lee S, Maeda S, Yasuda S, Yamashita K, Hirata K, Horita S, Tawaramoto MS, Tsujimoto H, Murata T, Kinoshita M, Yamamoto M, Kobilka BK, Vaidehi N, Iwata S, Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | X-ray | 5ZK3 | 5ZK3_refined | 2.6 | A | Inactive | 4 | 59 | - | - | - | - | - | - |
QNB
pubchem
|
small molecule | Antagonist | acetylcholine | small molecule | No | No | Suno R, Lee S, Maeda S, Yasuda S, Yamashita K, Hirata K, Horita S, Tawaramoto MS, Tsujimoto H, Murata T, Kinoshita M, Yamamoto M, Kobilka BK, Vaidehi N, Iwata S, Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | X-ray | 5ZKB | 5ZKB_refined | 3.0 | A | Inactive | 4 | 60 | - | - | - | - | - | - |
AF-DX 384
pubchem
|
small molecule | Antagonist | acetylcholine | small molecule | No | No | Suno R, Lee S, Maeda S, Yasuda S, Yamashita K, Hirata K, Horita S, Tawaramoto MS, Tsujimoto H, Murata T, Kinoshita M, Yamamoto M, Kobilka BK, Vaidehi N, Iwata S, Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 3VGA | - | 3.1 | A | Inactive | 0 | 72 | - | - | - | - | - | - |
ZM241385
pubchem
|
small molecule | Antagonist | adenosine | small molecule | Yes | No | Hino T, Arakawa T, Iwanari H, Yurugi-Kobayashi T, Ikeda-Suno C, Nakada-Nakura Y, Kusano-Arai O, Weyand S, Shimamura T, Nomura N, Cameron AD, Kobayashi T, Hamakubo T, Iwata S, Murata T | 10.1038/NATURE10750 | 2012-02-01 | No | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 3VG9 | 3VG9_refined | 2.7 | A | Inactive | 0 | 72 | - | - | - | - | - | Antibody fab fragment light chain Antibody fab fragment heavy chain |
ZM241385
pubchem
|
small molecule | Antagonist | adenosine | small molecule | Yes | No | Hino T, Arakawa T, Iwanari H, Yurugi-Kobayashi T, Ikeda-Suno C, Nakada-Nakura Y, Kusano-Arai O, Weyand S, Shimamura T, Nomura N, Cameron AD, Kobayashi T, Hamakubo T, Iwata S, Murata T | 10.1038/NATURE10750 | 2012-02-01 | Yes | |
C5AR1 | C5a1 | Complement peptide | A (Rhodopsin) | Human | X-ray | 5O9H | 5O9H_refined | 2.7 | A | Inactive | 10 | 84 | - | - | - | - | - | - |
NDT 9513727
pubchem
|
small molecule | Antagonist | C5a, C3a, C5a des-Arg, ribosomal protein S19 | protein | Yes | No | Robertson N, Rappas M, Doré AS, Brown J, Bottegoni G, Koglin M, Cansfield J, Jazayeri A, Cooke RM, Marshall FH | 10.1038/NATURE25025 | 2018-01-10 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | X-ray | 4MQT | 4MQT_refined | 3.7 | A | Active | 99 | 59 | - | - | - | - | - | Nanobody |
2CU
pubchem
Iperoxo pubchem |
small molecule small molecule |
PAM Agonist |
acetylcholine | small molecule | Yes | No | Kruse AC, Ring AM, Manglik A, Hu J, Hu K, Eitel K, Hübner H, Pardon E, Valant C, Sexton PM, Christopoulos A, Felder CC, Gmeiner P, Steyaert J, Weis WI, Garcia KC, Wess J, Kobilka BK | 10.1038/NATURE12735 | 2013-11-27 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | X-ray | 4MQS | 4MQS_refined | 3.5 | A | Active | 99 | 59 | - | - | - | - | - | Nanobody |
Iperoxo
pubchem
|
small molecule | Agonist | acetylcholine | small molecule | Yes | No | Kruse AC, Ring AM, Manglik A, Hu J, Hu K, Eitel K, Hübner H, Pardon E, Valant C, Sexton PM, Christopoulos A, Felder CC, Gmeiner P, Steyaert J, Weis WI, Garcia KC, Wess J, Kobilka BK | 10.1038/NATURE12735 | 2013-11-27 | Yes | |
CNR1 | CB1 | Cannabinoid | A (Rhodopsin) | Human | X-ray | 5TGZ | 5TGZ_refined | 2.8 | A | Inactive | 13 | 61 | - | - | - | - | Flavodoxin | - |
AM-6538
pubchem
|
small molecule | Antagonist | 2-arachidonoylglycerol, anandamide | small molecule | Yes | No | Hua T, Vemuri K, Pu M, Qu L, Han GW, Wu Y, Zhao S, Shui W, Li S, Korde A, Laprairie RB, Stahl EL, Ho J, Zvonok N, Zhou H, Kufareva I, Wu B, Zhao Q, Hanson MA, Bohn LM, Makriyannis A, Stevens RC, Liu Z | 10.1016/J.CELL.2016.10.004 | 2016-11-02 | Yes | |
OPRM | μ | Opioid | A (Rhodopsin) | Mouse | X-ray | 5C1M | 5C1M_refined | 2.1 | A | Active | 98 | 74 | - | - | - | - | - | Antibody |
GTPL9363
pubchem
|
small molecule | Agonist | [Leu]enkephalin, [Met]enkephalin, dynorphin A-(1-13), dynorphin A, dynorphin A-(1-8), dynorphin B, endomorphin-1, β-endorphin, endomorphin-2 | peptide | Yes | No | Huang W, Manglik A, Venkatakrishnan AJ, Laeremans T, Feinberg EN, Sanborn AL, Kato HE, Livingston KE, Thorsen TS, Kling RC, Granier S, Gmeiner P, Husbands SM, Traynor JR, Weis WI, Steyaert J, Dror RO, Kobilka BK | 10.1038/NATURE14886 | 2015-08-05 | Yes | |
SUCR1 | succinate | Succinate | A (Rhodopsin) | Rat | X-ray | 6IBB | 6IBB_refined | 2.1 | A | Intermediate | 51 | 93 | - | - | - | - | - | Nanobody6 | - | - | - | succinic acid | small molecule | Yes | No | Haffke M, Fehlmann D, Rummel G, Boivineau J, Duckely M, Gommermann N, Cotesta S, Sirockin F, Freuler F, Littlewood-Evans A, Kaupmann K, Jaakola V | 10.1038/S41586-019-1663-8 | 2019-08-14 | Yes | |
SUCR1 | succinate | Succinate | A (Rhodopsin) | Rat | X-ray | 6RNK | 6RNK_refined | 1.9 | A | Intermediate | 51 | 90 | - | - | - | - | - | Nanobody6 |
NF-56-EJ40
pubchem
|
small molecule | Antagonist | succinic acid | small molecule | Yes | No | Haffke M, Fehlmann D, Rummel G, Boivineau J, Duckely M, Gommermann N, Cotesta S, Sirockin F, Freuler F, Littlewood-Evans A, Kaupmann K, Jaakola V | 10.1038/S41586-019-1663-8 | 2019-08-14 | Yes | |
CXCR4 | CXCR4 | Chemokine | A (Rhodopsin) | Human | X-ray | 3OE6 | - | 3.2 | A | Inactive | 7 | 77 | - | - | - | - | T4-Lysozyme | - |
IT1t
pubchem
|
small molecule | Antagonist | CXCL12α, CXCL12γ, CXCL12δ, CXCL12ε, CXCL12φ, CXCL12β, CXCL12 | protein | Yes | No | Wu B, Chien EYT, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | No | |
CXCR4 | CXCR4 | Chemokine | A (Rhodopsin) | Human | X-ray | 3OE9 | - | 3.1 | A | Inactive | 7 | 74 | - | - | - | - | T4-Lysozyme | - |
IT1t
pubchem
|
small molecule | Antagonist | CXCL12α, CXCL12γ, CXCL12δ, CXCL12ε, CXCL12φ, CXCL12β, CXCL12 | protein | Yes | No | Wu B, Chien EYT, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | No | |
CXCR4 | CXCR4 | Chemokine | A (Rhodopsin) | Human | X-ray | 3ODU | 3ODU_refined | 2.5 | A | Inactive | 7 | 83 | - | - | - | - | T4-Lysozyme | - |
IT1t
pubchem
|
small molecule | Antagonist | CXCL12α, CXCL12γ, CXCL12δ, CXCL12ε, CXCL12φ, CXCL12β, CXCL12 | protein | Yes | No | Wu B, Chien EYT, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | Yes | |
CXCR4 | CXCR4 | Chemokine | A (Rhodopsin) | Human | X-ray | 3OE8 | - | 3.1 | A | Inactive | 7 | 76 | - | - | - | - | T4-Lysozyme | - |
IT1t
pubchem
|
small molecule | Antagonist | CXCL12α, CXCL12γ, CXCL12δ, CXCL12ε, CXCL12φ, CXCL12β, CXCL12 | protein | Yes | No | Wu B, Chien EYT, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | No | |
CXCR4 | CXCR4 | Chemokine | A (Rhodopsin) | Human | X-ray | 3OE0 | 3OE0_refined | 2.9 | A | Inactive | 7 | 78 | - | - | - | - | T4-Lysozyme | - |
CVX15
|
peptide | Antagonist | CXCL12α, CXCL12γ, CXCL12δ, CXCL12ε, CXCL12φ, CXCL12β, CXCL12 | protein | Yes | No | Wu B, Chien EYT, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | Yes | |
CCR6 | CCR6 | Chemokine | A (Rhodopsin) | Human | cryo-EM | 6WWZ | 6WWZ_refined | 3.3 | R | Active | 100 | 83 | Gi/o | αo | - | 59 | - | scFv16 |
CCL20
|
protein | Agonist | CCL20, beta-defensin 4A | protein | No | No | Wasilko DJ, Johnson ZL, Ammirati M, Che Y, Griffor MC, Han S, Wu H | 10.1038/S41467-020-16820-6 | 2020-06-24 | Yes | |
P2RY1 | P2Y1 | P2Y | A (Rhodopsin) | Human | X-ray | 4XNV | 4XNV_refined | 2.2 | A | Intermediate | 51 | 78 | - | - | - | - | Rubredoxin | - |
BPTU
pubchem
|
small molecule | NAM | ADP, ATP | small molecule | Yes | No | Zhang D, Gao Z, Zhang K, Kiselev E, Crane S, Wang J, Paoletta S, Yi C, Ma L, Zhang W, Han GW, Liu H, Cherezov V, Katritch V, Jiang H, Stevens RC, Jacobson KA, Zhao Q, Wu B | 10.1038/NATURE14287 | 2015-04-01 | Yes | |
P2RY1 | P2Y1 | P2Y | A (Rhodopsin) | Human | X-ray | 4XNW | 4XNW_refined | 2.7 | A | Intermediate | 51 | 78 | - | - | - | - | Rubredoxin | - |
MRS2500
pubchem
|
small molecule | Antagonist | ADP, ATP | small molecule | Yes | No | Zhang D, Gao Z, Zhang K, Kiselev E, Crane S, Wang J, Paoletta S, Yi C, Ma L, Zhang W, Han GW, Liu H, Cherezov V, Katritch V, Jiang H, Stevens RC, Jacobson KA, Zhao Q, Wu B | 10.1038/NATURE14287 | 2015-04-01 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 4UHR | 4UHR_refined | 2.6 | A | Active | 80 | 75 | - | - | - | - | - | - |
CGS-21680
pubchem
|
small molecule | Agonist | adenosine | small molecule | Yes | No | Lebon G, Edwards PC, Leslie AGW, Tate CG | 10.1124/MOL.114.097360 | 2015-04-08 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 4UG2 | - | 2.6 | B | Active | 80 | 67 | - | - | - | - | - | - |
CGS-21680
pubchem
|
small molecule | Agonist | adenosine | small molecule | Yes | No | Lebon G, Edwards PC, Leslie AGW, Tate CG | 10.1124/MOL.114.097360 | 2015-04-08 | No | |
ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | cryo-EM | 6U1N | 6U1N_refined | 4.0 | R | Active | 93 | 57 | Beta | Beta-arrestin-1 | - | 96 | - | Fab30 light chain Fab30 heavy chain |
2CU
pubchem
|
small molecule | Agonist | acetylcholine | small molecule | Yes | No | Staus DP, Hu H, Robertson MJ, Kleinhenz ALW, Wingler LM, Capel WD, Latorraca NR, Lefkowitz RJ, Skiniotis G | 10.1038/S41586-020-1954-0 | 2020-02-26 | Yes | |
ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Wild turkey | X-ray | 4AMI | 4AMI_refined | 3.2 | A | Inactive | 0 | 58 | - | - | - | - | - | - |
Bucindolol
pubchem
|
small molecule | Agonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline | small molecule | Yes | No | Warne T, Edwards PC, Leslie AG, Tate CG | 10.1016/J.STR.2012.03.014 | 2012-05-23 | Yes | |
ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Wild turkey | X-ray | 4AMJ | 4AMJ_refined | 2.3 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
(S)-Carvedilol
pubchem
|
small molecule | Inverse agonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline | small molecule | Yes | No | Warne T, Edwards PC, Leslie AG, Tate CG | 10.1016/J.STR.2012.03.014 | 2012-05-23 | Yes | |
MTR1A | MT1 | Melatonin | A (Rhodopsin) | Human | X-ray | 6ME3 | 6ME3_refined | 2.9 | A | Inactive | 1 | 82 | - | - | - | - | GIgA glycogen synthase | - |
2-Phenylmelatonin
pubchem
|
small molecule | Agonist | melatonin | small molecule | No | No | Stauch B, Johansson LC, McCorvy JD, Patel N, Han GW, Huang X, Gati C, Batyuk A, Slocum ST, Ishchenko A, Brehm W, White TA, Michaelian N, Madsen C, Zhu L, Grant TD, Grandner JM, Shiriaeva A, Olsen RHJ, Tribo AR, Yous S, Stevens RC, Weierstall U, Katritch V, Roth BL, Liu W, Cherezov V | 10.1038/S41586-019-1141-3 | 2019-04-24 | Yes | |
MTR1A | MT1 | Melatonin | A (Rhodopsin) | Human | X-ray | 6ME5 | 6ME5_refined | 3.2 | A | Inactive | 1 | 83 | - | - | - | - | GlgA glycogen synthase | - |
Agomelatine
pubchem
chembl_ligand
|
small molecule | Agonist | melatonin | small molecule | No | No | Stauch B, Johansson LC, McCorvy JD, Patel N, Han GW, Huang X, Gati C, Batyuk A, Slocum ST, Ishchenko A, Brehm W, White TA, Michaelian N, Madsen C, Zhu L, Grant TD, Grandner JM, Shiriaeva A, Olsen RHJ, Tribo AR, Yous S, Stevens RC, Weierstall U, Katritch V, Roth BL, Liu W, Cherezov V | 10.1038/S41586-019-1141-3 | 2019-04-24 | Yes | |
MTR1A | MT1 | Melatonin | A (Rhodopsin) | Human | X-ray | 6ME2 | 6ME2_refined | 2.8 | A | Inactive | 1 | 83 | - | - | - | - | GIgA glycogen synthase | - |
Ramelteon
pubchem
chembl_ligand
|
small molecule | Agonist | melatonin | small molecule | No | No | Stauch B, Johansson LC, McCorvy JD, Patel N, Han GW, Huang X, Gati C, Batyuk A, Slocum ST, Ishchenko A, Brehm W, White TA, Michaelian N, Madsen C, Zhu L, Grant TD, Grandner JM, Shiriaeva A, Olsen RHJ, Tribo AR, Yous S, Stevens RC, Weierstall U, Katritch V, Roth BL, Liu W, Cherezov V | 10.1038/S41586-019-1141-3 | 2019-04-24 | Yes | |
MTR1A | MT1 | Melatonin | A (Rhodopsin) | Human | X-ray | 6ME4 | 6ME4_refined | 3.2 | A | Inactive | 1 | 83 | - | - | - | - | GlgA glycogen synthase | - |
2-Iodomelatonin
pubchem
chembl_ligand
|
small molecule | Agonist | melatonin | small molecule | No | No | Stauch B, Johansson LC, McCorvy JD, Patel N, Han GW, Huang X, Gati C, Batyuk A, Slocum ST, Ishchenko A, Brehm W, White TA, Michaelian N, Madsen C, Zhu L, Grant TD, Grandner JM, Shiriaeva A, Olsen RHJ, Tribo AR, Yous S, Stevens RC, Weierstall U, Katritch V, Roth BL, Liu W, Cherezov V | 10.1038/S41586-019-1141-3 | 2019-04-24 | Yes | |
GABR2 | GABAB2 | GABAB | C (Glutamate) | Human | cryo-EM | 6W2X | - | 3.6 | B | Inactive | 0 | 71 | - | - | - | - | - | - |
CGP55845
pubchem
1-Stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine pubchem |
small molecule small molecule |
Inverse agonist NAM |
GABA | small molecule | No | No | Papasergi-Scott MM, Robertson MJ, Seven AB, Panova O, Mathiesen JM, Skiniotis G | 10.1038/S41586-020-2469-4 | 2020-07-01 | Yes | |
GABR1 | GABAB1 | GABAB | C (Glutamate) | Human | cryo-EM | 6W2Y | - | 3.2 | B | Inactive | 0 | 67 | - | - | - | - | - | - |
CGP55845
pubchem
1-Stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine pubchem |
small molecule small molecule |
Inverse agonist NAM |
GABA | small molecule | No | No | Papasergi-Scott MM, Robertson MJ, Seven AB, Panova O, Mathiesen JM, Skiniotis G | 10.1038/S41586-020-2469-4 | 2020-07-01 | Yes | |
OX2R | OX2 | Orexin | A (Rhodopsin) | Human | X-ray | 5WS3 | 5WS3_refined | 2.3 | A | Inactive | 1 | 70 | - | - | - | - | Glycogen synthase | - |
EMPA
pubchem
chembl_ligand
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | Yes | No | Suno R, Kimura KT, Nakane T, Yamashita K, Wang J, Fujiwara T, Yamanaka Y, Im D, Horita S, Tsujimoto H, Tawaramoto MS, Hirokawa T, Nango E, Tono K, Kameshima T, Hatsui T, Joti Y, Yabashi M, Shimamoto K, Yamamoto M, Rosenbaum DM, Iwata S, Shimamura T, Kobayashi T | 10.1016/J.STR.2017.11.005 | 2017-12-13 | Yes | |
OX2R | OX2 | Orexin | A (Rhodopsin) | Human | X-ray | 5WQC | 5WQC_refined | 2.0 | A | Inactive | 1 | 68 | - | - | - | - | Glycogen synthase | - |
EMPA
pubchem
chembl_ligand
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | Yes | No | Suno R, Kimura KT, Nakane T, Yamashita K, Wang J, Fujiwara T, Yamanaka Y, Im D, Horita S, Tsujimoto H, Tawaramoto MS, Hirokawa T, Nango E, Tono K, Kameshima T, Hatsui T, Joti Y, Yabashi M, Shimamoto K, Yamamoto M, Rosenbaum DM, Iwata S, Shimamura T, Kobayashi T | 10.1016/J.STR.2017.11.005 | 2017-11-29 | Yes | |
CCR7 | CCR7 | Chemokine | A (Rhodopsin) | Human | X-ray | 6QZH | 6QZH_refined | 2.1 | A | Inactive | 8 | 70 | - | - | - | - | Sialidase NanA | - |
SCHEMBL13407377
pubchem
|
small molecule | Antagonist | Ccl21a, Ccl21b, CCL19, CCL21 | protein | No | No | Jaeger K, Bruenle S, Weinert T, Guba W, Muehle J, Miyazaki T, Weber M, Furrer A, Haenggi N, Tetaz T, Huang C, Mattle D, Vonach J, Gast A, Kuglstatter A, Rudolph MG, Nogly P, Benz J, Dawson RJ, Standfuss J | 10.1016/J.CELL.2019.07.028 | 2019-09-04 | Yes | |
OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | cryo-EM | 6OFJ | 6OFJ_refined | 4.5 | A | Intermediate | 39 | 93 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | Retinal | small molecule | No | No | Zhao DY, Pöge M, Morizumi T, Gulati S, Van Eps N, Zhang J, Miszta P, Filipek S, Mahamid J, Plitzko JM, Baumeister W, Ernst OP, Palczewski K | 10.1074/JBC.RA119.010089 | 2019-08-21 | Yes | |
CLTR2 | CysLT2 | Leukotriene | A (Rhodopsin) | Human | X-ray | 6RZ7 | 6RZ7_refined | 2.4 | A | Intermediate | 51 | 79 | - | - | - | - | BRIL | - |
ONO-2570366 (C2221 space group)
pubchem
|
small molecule | Antagonist | LTE4, LTD4, LTC4 | small molecule | No | No | Gusach A, Luginina A, Marin E, Brouillette RL, Besserer-Offroy É, Longpré J, Ishchenko A, Popov P, Patel N, Fujimoto T, Maruyama T, Stauch B, Ergasheva M, Romanovskaia D, Stepko A, Kovalev K, Shevtsov M, Gordeliy V, Han GW, Katritch V, Borshchevskiy V, Sarret P, Mishin A, Cherezov V | 10.1038/S41467-019-13348-2 | 2019-12-11 | Yes | |
CLTR2 | CysLT2 | Leukotriene | A (Rhodopsin) | Human | X-ray | 6RZ8 | 6RZ8_refined | 2.7 | A | Intermediate | 51 | 78 | - | - | - | - | BRIL | - |
ONO-2080365
pubchem
|
small molecule | Antagonist | LTE4, LTD4, LTC4 | small molecule | No | No | Gusach A, Luginina A, Marin E, Brouillette RL, Besserer-Offroy É, Longpré J, Ishchenko A, Popov P, Patel N, Fujimoto T, Maruyama T, Stauch B, Ergasheva M, Romanovskaia D, Stepko A, Kovalev K, Shevtsov M, Gordeliy V, Han GW, Katritch V, Borshchevskiy V, Sarret P, Mishin A, Cherezov V | 10.1038/S41467-019-13348-2 | 2019-12-11 | Yes | |
CLTR2 | CysLT2 | Leukotriene | A (Rhodopsin) | Human | X-ray | 6RZ6 | 6RZ6_refined | 2.4 | A | Intermediate | 51 | 82 | - | - | - | - | BRIL | - |
ONO-2570366 (C2221 space group)
pubchem
|
small molecule | Antagonist | LTE4, LTD4, LTC4 | small molecule | No | No | Gusach A, Luginina A, Marin E, Brouillette RL, Besserer-Offroy É, Longpré J, Ishchenko A, Popov P, Patel N, Fujimoto T, Maruyama T, Stauch B, Ergasheva M, Romanovskaia D, Stepko A, Kovalev K, Shevtsov M, Gordeliy V, Han GW, Katritch V, Borshchevskiy V, Sarret P, Mishin A, Cherezov V | 10.1038/S41467-019-13348-2 | 2019-12-11 | Yes | |
CLTR2 | CysLT2 | Leukotriene | A (Rhodopsin) | Human | X-ray | 6RZ9 | 6RZ9_refined | 2.7 | A | Intermediate | 51 | 81 | - | - | - | - | BRIL | - |
ONO-2770372
pubchem
|
small molecule | Antagonist | LTE4, LTD4, LTC4 | small molecule | No | No | Gusach A, Luginina A, Marin E, Brouillette RL, Besserer-Offroy É, Longpré J, Ishchenko A, Popov P, Patel N, Fujimoto T, Maruyama T, Stauch B, Ergasheva M, Romanovskaia D, Stepko A, Kovalev K, Shevtsov M, Gordeliy V, Han GW, Katritch V, Borshchevskiy V, Sarret P, Mishin A, Cherezov V | 10.1038/S41467-019-13348-2 | 2019-12-11 | Yes | |
SMO | SMO | Frizzled | F (Frizzled) | Human | X-ray | 5L7I | 5L7I_refined | 3.3 | B | Inactive | 5 | 59 | - | - | - | - | BRIL | - |
Vismodegib
pubchem
|
small molecule | Antagonist | constitutive | constitutive | No | No | Byrne EFX, Sircar R, Miller PS, Hedger G, Luchetti G, Nachtergaele S, Tully MD, Mydock-McGrane L, Covey DF, Rambo RP, Sansom MSP, Newstead S, Rohatgi R, Siebold C | 10.1038/NATURE18934 | 2016-07-20 | Yes | |
SMO | SMO | Frizzled | F (Frizzled) | Human | X-ray | 5L7D | 5L7D_refined | 3.2 | B | Inactive | 5 | 59 | - | - | - | - | BRIL | - | - | - | - | constitutive | constitutive | No | No | Byrne EFX, Sircar R, Miller PS, Hedger G, Luchetti G, Nachtergaele S, Tully MD, Mydock-McGrane L, Covey DF, Rambo RP, Sansom MSP, Newstead S, Rohatgi R, Siebold C | 10.1038/NATURE18934 | 2016-07-20 | Yes | |
NTR1 | NTS1 | Neurotensin | A (Rhodopsin) | Human | cryo-EM | 6PWC | 6PWC_refined | 4.9 | R | Active | 92 | 77 | Beta | Beta-arrestin-1 | - | 94 | - | Fab30 heavy chain Fab30 light chain |
neurotensin
pubchem
chembl_ligand
|
peptide | Agonist | neurotensin, large neurotensin, neuromedin N, large neuromedin N | peptide | Yes | No | Yin W, Li Z, Jin M, Yin Y, de Waal PW, Pal K, Yin Y, Gao X, He Y, Gao J, Wang X, Zhang Y, Zhou H, Melcher K, Jiang Y, Cong Y, Edward Zhou X, Yu X, Eric Xu H | 10.1038/S41422-019-0256-2 | 2019-12-04 | Yes | |
GLR | glucagon | Glucagon | B1 (Secretin) | Human | X-ray | 5XF1 | 5XF1_refined | 3.2 | B | Inactive | 0 | 81 | - | - | - | - | T4-Lysozyme | Antibody |
NNC0640
pubchem
|
small molecule | Antagonist | glucagon | peptide | No | No | Zhang H, Qiao A, Yang D, Yang L, Dai A, de Graaf C, Reedtz-Runge S, Dharmarajan V, Zhang H, Han GW, Grant TD, Sierra RG, Weierstall U, Nelson G, Liu W, Wu Y, Ma L, Cai X, Lin G, Wu X, Geng Z, Dong Y, Song G, Griffin PR, Lau J, Cherezov V, Yang H, Hanson MA, Stevens RC, Zhao Q, Jiang H, Wang M, Wu B | 10.1038/NATURE22363 | 2017-05-24 | Yes | |
GLR | glucagon | Glucagon | B1 (Secretin) | Human | X-ray | 5XEZ | 5XEZ_refined | 3.0 | B | Inactive | 0 | 82 | - | - | - | - | T4-Lysozyme | Antibody |
NNC0640
pubchem
|
small molecule | Antagonist | glucagon | peptide | No | No | Zhang H, Qiao A, Yang D, Yang L, Dai A, de Graaf C, Reedtz-Runge S, Dharmarajan V, Zhang H, Han GW, Grant TD, Sierra RG, Weierstall U, Nelson G, Liu W, Wu Y, Ma L, Cai X, Lin G, Wu X, Geng Z, Dong Y, Song G, Griffin PR, Lau J, Cherezov V, Yang H, Hanson MA, Stevens RC, Zhao Q, Jiang H, Wang M, Wu B | 10.1038/NATURE22363 | 2017-05-24 | Yes | |
HRH1 | H1 | Histamine | A (Rhodopsin) | Human | X-ray | 3RZE | 3RZE_refined | 3.1 | A | Inactive | 4 | 55 | - | - | - | - | T4-Lysozyme | - |
Doxepin
pubchem
|
small molecule | Antagonist | histamine | small molecule | Yes | No | Shimamura T, Shiroishi M, Weyand S, Tsujimoto H, Winter G, Katritch V, Abagyan R, Cherezov V, Liu W, Han GW, Kobayashi T, Stevens RC, Iwata S | 10.1038/NATURE10236 | 2011-06-15 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 (Secretin) | Human | X-ray | 5VEX | 5VEX_refined | 3.0 | B | Inactive | 0 | 57 | - | - | - | - | T4-Lysozyme | - |
NNC0640
pubchem
|
small molecule | Antagonist | glucagon, glucagon-like peptide 1-(7-36) amide, glucagon-like peptide 1-(7-37) | peptide | No | No | Song G, Yang D, Wang Y, de Graaf C, Zhou Q, Jiang S, Liu K, Cai X, Dai A, Lin G, Liu D, Wu F, Wu Y, Zhao S, Ye L, Han GW, Lau J, Wu B, Hanson MA, Liu Z, Wang M, Stevens RC | 10.1038/NATURE22378 | 2017-05-17 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 (Secretin) | Human | X-ray | 5VEW | 5VEW_refined | 2.7 | A | Inactive | 0 | 57 | - | - | - | - | T4-Lysozyme | - |
PF-06372222
pubchem
|
small molecule | Antagonist | glucagon, glucagon-like peptide 1-(7-36) amide, glucagon-like peptide 1-(7-37) | peptide | No | No | Song G, Yang D, Wang Y, de Graaf C, Zhou Q, Jiang S, Liu K, Cai X, Dai A, Lin G, Liu D, Wu F, Wu Y, Zhao S, Ye L, Han GW, Lau J, Wu B, Hanson MA, Liu Z, Wang M, Stevens RC | 10.1038/NATURE22378 | 2017-05-24 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | cryo-EM | 6OIK | 6OIK_refined | 3.6 | R | Active | 100 | 60 | Gi/o | αo | - | 61 | - | - |
Iperoxo
pubchem
2CU pubchem |
small molecule small molecule |
Agonist PAM |
acetylcholine | small molecule | Yes | No | Maeda S, Qu Q, Robertson MJ, Skiniotis G, Kobilka BK | 10.1126/SCIENCE.AAW5188 | 2019-05-08 | Yes | |
ACM1 | M1 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | cryo-EM | 6OIJ | 6OIJ_refined | 3.3 | R | Active | 100 | 64 | Gq/11 | α11 | - | 63 | - | Antibody fragment |
Iperoxo
pubchem
|
small molecule | Agonist | acetylcholine | small molecule | Yes | No | Maeda S, Qu Q, Robertson MJ, Skiniotis G, Kobilka BK | 10.1126/SCIENCE.AAW5188 | 2019-05-08 | Yes | |
GHRHR | GHRH | Glucagon | B1 (Secretin) | Human | cryo-EM | 7CZ5 | 7CZ5_refined | 2.6 | R | Active | 100 | 64 | Gs | αs | - | 58 | - | Nanobody-35 |
Somatoliberin
pubchem
|
peptide | Agonist | GHRH | peptide | No | No | Zhou F, Zhang H, Cong Z, Zhao L, Zhou Q, Mao C, Cheng X, Shen D, Cai X, Ma C, Wang Y, Dai A, Zhou Y, Sun W, Zhao F, Zhao S, Jiang H, Jiang Y, Yang D, Eric Xu H, Zhang Y, Wang M | 10.1038/S41467-020-18945-0 | 2020-11-18 | Yes | |
LPAR1 | LPA1 | Lysophospholipid (LPA) | A (Rhodopsin) | Human | X-ray | 4Z36 | 4Z36_refined | 2.9 | A | Inactive | 0 | 79 | - | - | - | - | BRIL | - |
ONO-3080573
pubchem
|
small molecule | Antagonist | LPA | small molecule | Yes | No | Chrencik JE, Roth CB, Terakado M, Kurata H, Omi R, Kihara Y, Warshaviak D, Nakade S, Asmar-Rovira G, Mileni M, Mizuno H, Griffith MT, Rodgers C, Han GW, Velasquez J, Chun J, Stevens RC, Hanson MA | 10.1016/J.CELL.2015.06.002 | 2015-06-03 | Yes | |
LPAR1 | LPA1 | Lysophospholipid (LPA) | A (Rhodopsin) | Human | X-ray | 4Z35 | 4Z35_refined | 2.9 | A | Inactive | 0 | 79 | - | - | - | - | BRIL | - |
ONO-9910539
pubchem
|
small molecule | Antagonist | LPA | small molecule | Yes | No | Chrencik JE, Roth CB, Terakado M, Kurata H, Omi R, Kihara Y, Warshaviak D, Nakade S, Asmar-Rovira G, Mileni M, Mizuno H, Griffith MT, Rodgers C, Han GW, Velasquez J, Chun J, Stevens RC, Hanson MA | 10.1016/J.CELL.2015.06.002 | 2015-06-03 | Yes | |
LPAR1 | LPA1 | Lysophospholipid (LPA) | A (Rhodopsin) | Human | X-ray | 4Z34 | 4Z34_refined | 3.0 | A | Inactive | 0 | 80 | - | - | - | - | BRIL | - |
ONO-9780307
pubchem
|
small molecule | Antagonist | LPA | small molecule | Yes | No | Chrencik JE, Roth CB, Terakado M, Kurata H, Omi R, Kihara Y, Warshaviak D, Nakade S, Asmar-Rovira G, Mileni M, Mizuno H, Griffith MT, Rodgers C, Han GW, Velasquez J, Chun J, Stevens RC, Hanson MA | 10.1016/J.CELL.2015.06.002 | 2015-06-03 | Yes | |
CRFR1 | CRF1 | Corticotropin-releasing factor | B1 (Secretin) | Human | X-ray | 4Z9G | 4Z9G_refined | 3.2 | A | Inactive | 13 | 63 | - | - | - | - | T4-Lysozyme | - |
CP-376395
pubchem
|
small molecule | Antagonist | urocortin 2, corticotrophin-releasing hormone, urocortin 1 | peptide | No | No | Dore AS, Bortolato A, Hollenstein K, Cheng RK, Read RJ, Marshall FH | 10.2174/1874467210666170110114727 | 2016-06-29 | Yes | |
DRD4 | D4 | Dopamine | A (Rhodopsin) | Human | X-ray | 5WIV | 5WIV_refined | 2.1 | A | Inactive | 1 | 58 | - | - | - | - | BRIL | - |
Nemonapride
pubchem
|
small molecule | Antagonist | dopamine | small molecule | Yes | Yes | Wang S, Wacker D, Levit A, Che T, Betz RM, McCorvy JD, Venkatakrishnan AJ, Huang X, Dror RO, Shoichet BK, Roth BL | 10.1126/SCIENCE.AAN5468 | 2017-10-18 | Yes | |
DRD4 | D4 | Dopamine | A (Rhodopsin) | Human | X-ray | 5WIU | 5WIU_refined | 2.0 | A | Inactive | 1 | 58 | - | - | - | - | BRIL | - |
Nemonapride
pubchem
|
small molecule | Antagonist | dopamine | small molecule | Yes | No | Wang S, Wacker D, Levit A, Che T, Betz RM, McCorvy JD, Venkatakrishnan AJ, Huang X, Dror RO, Shoichet BK, Roth BL | 10.1126/SCIENCE.AAN5468 | 2017-10-18 | Yes | |
DRD3 | D3 | Dopamine | A (Rhodopsin) | Human | X-ray | 3PBL | 3PBL_refined | 2.9 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Eticlopride
pubchem
|
small molecule | Antagonist | dopamine | small molecule | Yes | No | Chien EYT, Liu W, Zhao Q, Katritch V, Won Han G, Hanson MA, Shi L, Newman AH, Javitch JA, Cherezov V, Stevens RC | 10.1126/SCIENCE.1197410 | 2010-11-03 | Yes | |
OPRK | κ | Opioid | A (Rhodopsin) | Human | X-ray | 6B73 | 6B73_refined | 3.1 | A | Active | 98 | 73 | - | - | - | - | BRIL | Nanobody |
MP1104
pubchem
|
small molecule | Agonist | α-neoendorphin, [Leu]enkephalin, [Met]enkephalin, dynorphin A-(1-13), dynorphin A, dynorphin A-(1-8), dynorphin B, β-endorphin, β-neoendorphin, big dynorphin | peptide | Yes | No | Che T, Majumdar S, Zaidi SA, Ondachi P, McCorvy JD, Wang S, Mosier PD, Uprety R, Vardy E, Krumm BE, Han GW, Lee M, Pardon E, Steyaert J, Huang X, Strachan RT, Tribo AR, Pasternak GW, Carroll FI, Stevens RC, Cherezov V, Katritch V, Wacker D, Roth BL | 10.1016/J.CELL.2017.12.011 | 2018-01-17 | Yes | |
PAR1 | PAR1 | Proteinase-activated | A (Rhodopsin) | Human | X-ray | 3VW7 | 3VW7_refined | 2.2 | A | Intermediate | 51 | 66 | - | - | - | - | T4-Lysozyme | - |
Vorapaxar
pubchem
|
small molecule | Antagonist | thrombin | protein | Yes | No | Zhang C, Srinivasan Y, Arlow DH, Fung JJ, Palmer D, Zheng Y, Green HF, Pandey A, Dror RO, Shaw DE, Weis WI, Coughlin SR, Kobilka BK | 10.1038/NATURE11701 | 2012-12-12 | Yes | |
DRD2 | D2 | Dopamine | A (Rhodopsin) | Human | cryo-EM | 6VMS | 6VMS_refined | 3.8 | R | Active | 100 | 63 | Gi/o | αi1 | - | 64 | T4-Lysozyme | scFv16 |
Bromocriptine
pubchem
|
small molecule | Agonist | dopamine | small molecule | Yes | No | Yin J, Chen KM, Clark MJ, Hijazi M, Kumari P, Bai X, Sunahara RK, Barth P, Rosenbaum DM | 10.1038/S41586-020-2379-5 | 2020-06-17 | Yes | |
PTAFR | PAF | Platelet-activating factor | A (Rhodopsin) | Human | X-ray | 5ZKP | - | 2.8 | A | Other | - | 85 | - | - | - | - | Flavodoxin | - |
Foropafant
pubchem
|
small molecule | Antagonist | PAF, methylcarbamyl PAF | small molecule | Yes | No | Cao C, Tan Q, Xu C, He L, Yang L, Zhou Y, Zhou Y, Qiao A, Lu M, Yi C, Han GW, Wang X, Li X, Yang H, Rao Z, Jiang H, Zhao Y, Liu J, Stevens RC, Zhao Q, Zhang XC, Wu B | 10.1038/S41594-018-0068-Y | 2018-06-20 | Yes | |
PTAFR | PAF | Platelet-activating factor | A (Rhodopsin) | Human | X-ray | 5ZKQ | 5ZKQ_refined | 2.9 | B | Intermediate | 51 | 83 | - | - | - | - | T4-Lysozyme | - |
ABT-491
pubchem
chembl_ligand
|
small molecule | Inverse agonist | PAF, methylcarbamyl PAF | small molecule | Yes | No | Cao C, Tan Q, Xu C, He L, Yang L, Zhou Y, Zhou Y, Qiao A, Lu M, Yi C, Han GW, Wang X, Li X, Yang H, Rao Z, Jiang H, Zhao Y, Liu J, Stevens RC, Zhao Q, Zhang XC, Wu B | 10.1038/S41594-018-0068-Y | 2018-06-20 | Yes | |
5HT1B | 5-HT1B | 5-Hydroxytryptamine | A (Rhodopsin) | Human | X-ray | 4IAR | 4IAR_refined | 2.7 | A | Inactive | 21 | 70 | - | - | - | - | BRIL | - |
Ergotamine
pubchem
|
small molecule | Agonist | 5-hydroxytryptamine, tryptamine, 5-HT-moduline | small molecule | Yes | No | Wang C, Jiang Y, Ma J, Wu H, Wacker D, Katritch V, Han GW, Liu W, Huang X, Vardy E, McCorvy JD, Gao X, Zhou XE, Melcher K, Zhang C, Bai F, Yang H, Yang L, Jiang H, Roth BL, Cherezov V, Stevens RC, Xu HE | 10.1126/SCIENCE.1232807 | 2013-03-13 | Yes | |
5HT1B | 5-HT1B | 5-Hydroxytryptamine | A (Rhodopsin) | Human | X-ray | 4IAQ | 4IAQ_refined | 2.8 | A | Inactive | 21 | 70 | - | - | - | - | BRIL | - |
Dihydroergotamine
pubchem
|
small molecule | Agonist | 5-hydroxytryptamine, tryptamine, 5-HT-moduline | small molecule | Yes | No | Wang C, Jiang Y, Ma J, Wu H, Wacker D, Katritch V, Han GW, Liu W, Huang X, Vardy E, McCorvy JD, Gao X, Zhou XE, Melcher K, Zhang C, Bai F, Yang H, Yang L, Jiang H, Roth BL, Cherezov V, Stevens RC, Xu HE | 10.1126/SCIENCE.1232807 | 2013-03-13 | Yes | |
MC4R | MC4 | Melanocortin | A (Rhodopsin) | Human | X-ray | 6W25 | 6W25_refined | 2.8 | A | Intermediate | 59 | 79 | - | - | - | - | GlgA glycogen synthase | - |
SHU9119
Calcium ion pubchem |
peptide ion |
Antagonist Cofactor |
agouti, α-MSH, ACTH, γ-MSH, β-MSH, agouti-related protein | protein | Yes | No | Yu J, Gimenez LE, Hernandez CC, Wu Y, Wein AH, Han GW, McClary K, Mittal SR, Burdsall K, Stauch B, Wu L, Stevens SN, Peisley A, Williams SY, Chen V, Millhauser GL, Zhao S, Cone RD, Stevens RC | 10.1126/SCIENCE.AAZ8995 | 2020-04-29 | Yes | |
GABR2 | GABAB2 | GABAB | C (Glutamate) | Human | cryo-EM | 6VJM | - | 4.0 | B | Inactive | 4 | 73 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | GABA | small molecule | No | No | Shaye H, Ishchenko A, Lam JH, Han GW, Xue L, Rondard P, Pin J, Katritch V, Gati C, Cherezov V | 10.1038/S41586-020-2408-4 | 2020-06-10 | Yes | |
GABR2 | GABAB2 | GABAB | C (Glutamate) | Human | cryo-EM | 6UOA | - | 6.3 | B | Inactive | 4 | 71 | - | - | - | - | - | - |
(R)-(3-aminopropyl)methylphosphinic acid
pubchem
chembl_ligand
|
small molecule | Agonist | GABA | small molecule | No | No | Shaye H, Ishchenko A, Lam JH, Han GW, Xue L, Rondard P, Pin J, Katritch V, Gati C, Cherezov V | 10.1038/S41586-020-2408-4 | 2020-06-10 | Yes | |
GABR2 | GABAB2 | GABAB | C (Glutamate) | Human | cryo-EM | 6UO8 | - | 3.6 | B | Active | 100 | 74 | - | - | - | - | - | - |
N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine
pubchem
(R)-(3-aminopropyl)methylphosphinic acid pubchem chembl_ligand |
small molecule small molecule |
PAM Agonist |
GABA | small molecule | No | No | Shaye H, Ishchenko A, Lam JH, Han GW, Xue L, Rondard P, Pin J, Katritch V, Gati C, Cherezov V | 10.1038/S41586-020-2408-4 | 2020-06-10 | Yes | |
GABR2 | GABAB2 | GABAB | C (Glutamate) | Human | cryo-EM | 6UO9 | - | 4.8 | B | Inactive | 10 | 73 | - | - | - | - | - | - |
(R)-(3-aminopropyl)methylphosphinic acid
pubchem
chembl_ligand
|
small molecule | Agonist | GABA | small molecule | No | No | Shaye H, Ishchenko A, Lam JH, Han GW, Xue L, Rondard P, Pin J, Katritch V, Gati C, Cherezov V | 10.1038/S41586-020-2408-4 | 2020-06-10 | Yes | |
GPR52 | GPR52 | A orphans | A (Rhodopsin) | Human | cryo-EM | 6LI3 | 6LI3_refined | 3.3 | R | Active | 100 | 79 | Gs | αs | Mini-Gs | 61 | - | Nanobody-35 |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | Yes | No | Lin X, Li M, Wang N, Wu Y, Luo Z, Guo S, Han G, Li S, Yue Y, Wei X, Xie X, Chen Y, Zhao S, Wu J, Lei M, Xu F | 10.1038/S41586-020-2019-0 | 2020-02-26 | Yes | |
GPR52 | GPR52 | A orphans | A (Rhodopsin) | Human | X-ray | 6LI1 | 6LI1_refined | 2.9 | A | Intermediate | 45 | 80 | - | - | - | - | Flavodoxin | - | - | - | - | - | - | Yes | No | Lin X, Li M, Wang N, Wu Y, Luo Z, Guo S, Han G, Li S, Yue Y, Wei X, Xie X, Chen Y, Zhao S, Wu J, Lei M, Xu F | 10.1038/S41586-020-2019-0 | 2020-02-26 | Yes | |
GPR52 | GPR52 | A orphans | A (Rhodopsin) | Human | X-ray | 6LI0 | 6LI0_refined | 2.2 | A | Intermediate | 45 | 81 | - | - | - | - | Flavodoxin | - |
c17
pubchem
|
small molecule | Agonist | - | - | Yes | No | Lin X, Li M, Wang N, Wu Y, Luo Z, Guo S, Han G, Li S, Yue Y, Wei X, Xie X, Chen Y, Zhao S, Wu J, Lei M, Xu F | 10.1038/S41586-020-2019-0 | 2020-02-26 | Yes | |
GPR52 | GPR52 | A orphans | A (Rhodopsin) | Human | X-ray | 6LI2 | 6LI2_refined | 2.8 | A | Intermediate | 45 | 79 | - | - | - | - | Rubredoxin | - | - | - | - | - | - | Yes | No | Lin X, Li M, Wang N, Wu Y, Luo Z, Guo S, Han G, Li S, Yue Y, Wei X, Xie X, Chen Y, Zhao S, Wu J, Lei M, Xu F | 10.1038/S41586-020-2019-0 | 2020-02-26 | Yes | |
ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Wild turkey | X-ray | 6IBL | 6IBL_refined | 2.7 | A | Active | 100 | 59 | - | - | - | - | Thioredoxin 1 | Carmelid antibody fragment Nb80 |
Formoterol
pubchem
chembl_ligand
|
small molecule | Agonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline | small molecule | Yes | No | Warne T, Edwards PC, Doré AS, Leslie AGW, Tate CG | 10.1101/436212 | 2019-01-09 | Yes | |
ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Wild turkey | X-ray | 6H7N | 6H7N_refined | 2.5 | A | Active | 100 | 60 | - | - | - | - | Thioredoxin 1 | Camelid antibody fragment Nb6B9 |
Xamoterol
pubchem
|
small molecule | Agonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline | small molecule | Yes | No | Warne T, Edwards PC, Doré AS, Leslie AGW, Tate CG | 10.1101/436212 | 2018-10-17 | Yes | |
OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Human | X-ray | 4ZWJ | 4ZWJ_refined | 3.3 | A | Active | 97 | 94 | Visual | S-arrestin | - | 86 | T4-Lysozyme | - |
Apo (no ligand)
|
none | Apo (no ligand) | Retinal | small molecule | No | No | Kang Y, Zhou XE, Gao X, He Y, Liu W, Ishchenko A, Barty A, White TA, Yefanov O, Han GW, Xu Q, de Waal PW, Ke J, Tan MHE, Zhang C, Moeller A, West GM, Pascal BD, Van Eps N, Caro LN, Vishnivetskiy SA, Lee RJ, Suino-Powell KM, Gu X, Pal K, Ma J, Zhi X, Boutet S, Williams GJ, Messerschmidt M, Gati C, Zatsepin NA, Wang D, James D, Basu S, Roy-Chowdhury S, Conrad CE, Coe J, Liu H, Lisova S, Kupitz C, Grotjohann I, Fromme R, Jiang Y, Tan M, Yang H, Li J, Wang M, Zheng Z, Li D, Howe N, Zhao Y, Standfuss J, Diederichs K, Dong Y, Potter CS, Carragher B, Caffrey M, Jiang H, Chapman HN, Spence JCH, Fromme P, Weierstall U, Ernst OP, Katritch V, Gurevich VV, Griffin PR, Hubbell WL, Stevens RC, Cherezov V, Melcher K, Xu HE | 10.1038/NATURE14656 | 2015-07-29 | Yes | |
ACM5 | M5 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | X-ray | 6OL9 | 6OL9_refined | 2.5 | A | Inactive | 4 | 53 | - | - | - | - | T4-Lysozyme | - |
Tiotropium
pubchem
|
small molecule | Inverse agonist | acetylcholine | small molecule | No | No | Vuckovic Z, Gentry PR, Berizzi AE, Hirata K, Varghese S, Thompson G, van der Westhuizen ET, Burger WAC, Rahmani R, Valant C, Langmead CJ, Lindsley CW, Baell JB, Tobin AB, Sexton PM, Christopoulos A, Thal DM | 10.1073/PNAS.1914446116 | 2019-12-11 | Yes | |
EDNRB | ETB | Endothelin | A (Rhodopsin) | Human | X-ray | 5XPR | 5XPR_refined | 3.6 | A | Inactive | 16 | 69 | - | - | - | - | T4-Lysozyme | - | - | - | - | endothelin-3, Big endothelin-1, endothelin-2 | peptide | Yes | No | Shihoya W, Nishizawa T, Yamashita K, Inoue A, Hirata K, Kadji FMN, Okuta A, Tani K, Aoki J, Fujiyoshi Y, Doi T, Nureki O | 10.1038/NSMB.3450 | 2017-08-16 | Yes | |
EDNRB | ETB | Endothelin | A (Rhodopsin) | Human | X-ray | 5X93 | 5X93_refined | 2.2 | A | Inactive | 16 | 71 | - | - | - | - | T4-Lysozyme | - |
K-8794
pubchem
|
small molecule | Antagonist | endothelin-3, Big endothelin-1, endothelin-2 | peptide | Yes | No | Shihoya W, Nishizawa T, Yamashita K, Inoue A, Hirata K, Kadji FMN, Okuta A, Tani K, Aoki J, Fujiyoshi Y, Doi T, Nureki O | 10.1038/NSMB.3450 | 2017-08-16 | Yes | |
AGTR1 | AT1 | Angiotensin | A (Rhodopsin) | Human | X-ray | 4ZUD | 4ZUD_refined | 2.8 | A | Inactive | 7 | 75 | - | - | - | - | BRIL | - |
Olmesartan
|
small molecule | Inverse agonist | angiotensin II, angiotensin IV, angiotensin A, angiotensin III | peptide | Yes | No | Zhang H, Unal H, Desnoyer R, Han GW, Patel N, Katritch V, Karnik SS, Cherezov V, Stevens RC | 10.1074/JBC.M115.689000 | 2015-10-07 | Yes | |
S1PR1 | S1P1 | Lysophospholipid (S1P) | A (Rhodopsin) | Human | X-ray | 3V2W | - | 3.4 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
(R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid
pubchem
|
small molecule | Antagonist | LPA, sphingosine 1-phosphate, sphingosylphosphorylcholine | small molecule | Yes | No | Hanson MA, Roth CB, Jo E, Griffith MT, Scott FL, Reinhart G, Desale H, Clemons B, Cahalan SM, Schuerer SC, Sanna MG, Han GW, Kuhn P, Rosen H, Stevens RC | 10.1126/SCIENCE.1215904 | 2012-02-15 | No | |
S1PR1 | S1P1 | Lysophospholipid (S1P) | A (Rhodopsin) | Human | X-ray | 3V2Y | 3V2Y_refined | 2.8 | A | Inactive | 0 | 76 | - | - | - | - | T4-Lysozyme | - |
(R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid
pubchem
|
small molecule | Antagonist | LPA, sphingosine 1-phosphate, sphingosylphosphorylcholine | small molecule | Yes | No | Hanson MA, Roth CB, Jo E, Griffith MT, Scott FL, Reinhart G, Desale H, Clemons B, Cahalan SM, Schuerer SC, Sanna MG, Han GW, Kuhn P, Rosen H, Stevens RC | 10.1126/SCIENCE.1215904 | 2012-02-15 | Yes | |
CNR2 | CB2 | Cannabinoid | A (Rhodopsin) | Human | cryo-EM | 6PT0 | 6PT0_refined | 3.2 | R | Active | 100 | 83 | Gi/o | αi1 | - | 100 | - | scFv16 |
Win 55212-2
pubchem
chembl_ligand
|
small molecule | Agonist | 2-arachidonoylglycerol, anandamide | small molecule | Yes | No | Xing C, Zhuang Y, Xu T, Feng Z, Zhou XE, Chen M, Wang L, Meng X, Xue Y, Wang J, Liu H, McGuire TF, Zhao G, Melcher K, Zhang C, Xu HE, Xie X | 10.1016/J.CELL.2020.01.007 | 2020-02-12 | Yes | |
NK1R | NK1 | Tachykinin | A (Rhodopsin) | Human | X-ray | 6HLO | 6HLO_refined | 2.4 | A | Inactive | 1 | 70 | - | - | - | - | GIgA glycogen synthase | - |
Aprepitant
pubchem
pubchem
chembl_ligand
|
small molecule | Antagonist | hemokinin 1, neuropeptide K, neuropeptide-γ, neurokinin A, neurokinin B, substance P | peptide | Yes | No | Schöppe J, Ehrenmann J, Klenk C, Rucktooa P, Schütz M, Doré AS, Plückthun A | 10.1038/S41467-018-07939-8 | 2019-01-16 | Yes | |
NK1R | NK1 | Tachykinin | A (Rhodopsin) | Human | X-ray | 6HLP | 6HLP_refined | 2.2 | A | Inactive | 1 | 71 | - | - | - | - | GIgA glycogen synthase | - |
Netupitant
pubchem
chembl_ligand
|
small molecule | Antagonist | hemokinin 1, neuropeptide K, neuropeptide-γ, neurokinin A, neurokinin B, substance P | peptide | Yes | No | Schöppe J, Ehrenmann J, Klenk C, Rucktooa P, Schütz M, Doré AS, Plückthun A | 10.1038/S41467-018-07939-8 | 2019-01-16 | Yes | |
NK1R | NK1 | Tachykinin | A (Rhodopsin) | Human | X-ray | 6HLL | 6HLL_refined | 3.3 | A | Inactive | 1 | 67 | - | - | - | - | GIgA glycogen synthase | - |
CP-99,994
pubchem
chembl_ligand
|
small molecule | Antagonist | hemokinin 1, neuropeptide K, neuropeptide-γ, neurokinin A, neurokinin B, substance P | peptide | Yes | No | Schöppe J, Ehrenmann J, Klenk C, Rucktooa P, Schütz M, Doré AS, Plückthun A | 10.1038/S41467-018-07939-8 | 2019-01-16 | Yes | |
FZD4 | FZD4 | Frizzled | F (Frizzled) | Human | X-ray | 6BD4 | 6BD4_refined | 2.4 | A | Inactive | 21 | 61 | - | - | - | - | Rubredoxin | - | - | - | - | norrin | protein | No | No | Yang S, Wu Y, Xu T, de Waal PW, He Y, Pu M, Chen Y, DeBruine ZJ, Zhang B, Zaidi SA, Popov P, Guo Y, Han GW, Lu Y, Suino-Powell K, Dong S, Harikumar KG, Miller LJ, Katritch V, Xu HE, Shui W, Stevens RC, Melcher K, Zhao S, Xu F | 10.1038/S41586-018-0447-X | 2018-08-22 | Yes | |
CLTR1 | CysLT1 | Leukotriene | A (Rhodopsin) | Human | X-ray | 6RZ4 | 6RZ4_refined | 2.7 | A | Intermediate | 51 | 85 | - | - | - | - | BRIL | - |
Pranlukast
pubchem
chembl_ligand
|
small molecule | Antagonist | LTE4, LTD4, LTC4 | small molecule | Yes | Yes | Luginina A, Gusach A, Marin E, Mishin A, Brouillette R, Popov P, Shiriaeva A, Besserer-Offroy É, Longpré J, Lyapina E, Ishchenko A, Patel N, Polovinkin V, Safronova N, Bogorodskiy A, Edelweiss E, Hu H, Weierstall U, Liu W, Batyuk A, Gordeliy V, Han GW, Sarret P, Katritch V, Borshchevskiy V, Cherezov V | 10.1126/SCIADV.AAX2518 | 2019-10-30 | Yes | |
CLTR1 | CysLT1 | Leukotriene | A (Rhodopsin) | Human | X-ray | 6RZ5 | 6RZ5_refined | 2.5 | B | Intermediate | 51 | 84 | - | - | - | - | BRIL | - |
Zafirlukast
pubchem
chembl_ligand
|
small molecule | Antagonist | LTE4, LTD4, LTC4 | small molecule | Yes | Yes | Luginina A, Gusach A, Marin E, Mishin A, Brouillette R, Popov P, Shiriaeva A, Besserer-Offroy É, Longpré J, Lyapina E, Ishchenko A, Patel N, Polovinkin V, Safronova N, Bogorodskiy A, Edelweiss E, Hu H, Weierstall U, Liu W, Batyuk A, Gordeliy V, Han GW, Sarret P, Katritch V, Borshchevskiy V, Cherezov V | 10.1126/SCIADV.AAX2518 | 2019-10-30 | Yes | |
NTR1 | NTS1 | Neurotensin | A (Rhodopsin) | Rat | X-ray | 4BWB | - | 3.6 | A | Inactive | 3 | 72 | - | - | - | - | - | - |
neurotensin
pubchem
chembl_ligand
|
peptide | Agonist | neurotensin, large neurotensin, neuromedin N, large neuromedin N | peptide | Yes | No | Egloff P, Hillenbrand M, Klenk C, Batyuk A, Heine P, Balada S, Schlinkmann KM, Scott DJ, Schütz M, Plückthun A | 10.1073/PNAS.1317903111 | 2014-01-29 | No | |
NTR1 | NTS1 | Neurotensin | A (Rhodopsin) | Rat | X-ray | 4BV0 | - | 3.1 | A | Inactive | 3 | 70 | - | - | - | - | - | - |
neurotensin
pubchem
chembl_ligand
|
peptide | Agonist | neurotensin, large neurotensin, neuromedin N, large neuromedin N | peptide | Yes | No | Egloff P, Hillenbrand M, Klenk C, Batyuk A, Heine P, Balada S, Schlinkmann KM, Scott DJ, Schütz M, Plückthun A | 10.1073/PNAS.1317903111 | 2014-01-29 | No | |
NTR1 | NTS1 | Neurotensin | A (Rhodopsin) | Rat | X-ray | 3ZEV | - | 3.0 | A | Inactive | 3 | 72 | - | - | - | - | - | - |
neurotensin
pubchem
chembl_ligand
|
peptide | Agonist | neurotensin, large neurotensin, neuromedin N, large neuromedin N | peptide | Yes | No | Egloff P, Hillenbrand M, Klenk C, Batyuk A, Heine P, Balada S, Schlinkmann KM, Scott DJ, Schütz M, Plückthun A | 10.1073/PNAS.1317903111 | 2014-01-29 | No | |
NTR1 | NTS1 | Neurotensin | A (Rhodopsin) | Rat | X-ray | 4BUO | 4BUO_refined | 2.8 | A | Inactive | 3 | 72 | - | - | - | - | - | - |
neurotensin
pubchem
chembl_ligand
|
peptide | Agonist | neurotensin, large neurotensin, neuromedin N, large neuromedin N | peptide | Yes | No | Egloff P, Hillenbrand M, Klenk C, Batyuk A, Heine P, Balada S, Schlinkmann KM, Scott DJ, Schütz M, Plückthun A | 10.1073/PNAS.1317903111 | 2014-01-29 | Yes | |
PE2R4 | EP4 | Prostanoid | A (Rhodopsin) | Human | X-ray | 5YWY | 5YWY_refined | 3.2 | A | Inactive | 18 | 57 | - | - | - | - | - | Fab |
ONO-AE3-208
pubchem
|
small molecule | Antagonist | PGE1, PGD2, PGE2, PGF2α, PGI2 | small molecule | No | No | Toyoda Y, Morimoto K, Suno R, Horita S, Yamashita K, Hirata K, Sekiguchi Y, Yasuda S, Shiroishi M, Shimizu T, Urushibata Y, Kajiwara Y, Inazumi T, Hotta Y, Asada H, Nakane T, Shiimura Y, Nakagita T, Tsuge K, Yoshida S, Kuribara T, Hosoya T, Sugimoto Y, Nomura N, Sato M, Hirokawa T, Kinoshita M, Murata T, Takayama K, Yamamoto M, Narumiya S, Iwata S, Kobayashi T | 10.1038/S41589-018-0131-3 | 2018-12-05 | Yes | |
PE2R4 | EP4 | Prostanoid | A (Rhodopsin) | Human | X-ray | 5YHL | 5YHL_refined | 4.2 | A | Inactive | 18 | 57 | - | - | - | - | - | Fab |
ONO-AE3-208-Br
pubchem
|
small molecule | Antagonist | PGE1, PGD2, PGE2, PGF2α, PGI2 | small molecule | No | No | Toyoda Y, Morimoto K, Suno R, Horita S, Yamashita K, Hirata K, Sekiguchi Y, Yasuda S, Shiroishi M, Shimizu T, Urushibata Y, Kajiwara Y, Inazumi T, Hotta Y, Asada H, Nakane T, Shiimura Y, Nakagita T, Tsuge K, Yoshida S, Kuribara T, Hosoya T, Sugimoto Y, Nomura N, Sato M, Hirokawa T, Kinoshita M, Murata T, Takayama K, Yamamoto M, Narumiya S, Iwata S, Kobayashi T | 10.1038/S41589-018-0131-3 | 2018-12-05 | Yes | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A (Rhodopsin) | Human | X-ray | 4IB4 | 4IB4_refined | 2.7 | A | Intermediate | 51 | 59 | - | - | - | - | BRIL | - |
Ergotamine
pubchem
|
small molecule | Agonist | 5-hydroxytryptamine | small molecule | Yes | No | Wacker D, Wang C, Katritch V, Han GW, Huang X, Vardy E, McCorvy JD, Jiang Y, Chu M, Siu FY, Liu W, Xu HE, Cherezov V, Roth BL, Stevens RC | 10.1126/SCIENCE.1232808 | 2013-03-13 | Yes | |
AGTR2 | AT2 | Angiotensin | A (Rhodopsin) | Human | X-ray | 6JOD | 6JOD_refined | 3.2 | A | Active | 98 | 84 | - | - | - | - | BRIL | Heavy chain of 4A03Fab Light chain of 4A03Fab |
angiotensin II
pubchem
chembl_ligand
|
peptide | Agonist | angiotensin II, angiotensin III, angiotensin-(1-7) | peptide | Yes | No | Asada H, Inoue A, Ngako Kadji FM, Hirata K, Shiimura Y, Im D, Shimamura T, Nomura N, Iwanari H, Hamakubo T, Kusano-Arai O, Hisano H, Uemura T, Suno C, Aoki J, Iwata S | 10.1016/J.STR.2019.12.003 | 2020-01-15 | Yes | |
GPBAR | GPBA | Bile acid | A (Rhodopsin) | Human | cryo-EM | 7CFN | 7CFN_refined | 3.0 | R | Active | 100 | 83 | Gs | αs | - | 59 | - | Nanobody-35 |
INT-777
pubchem
INT-777 pubchem |
small molecule small molecule |
Agonist PAM |
chenodeoxycholic acid, cholic acid, deoxycholic acid, lithocholic acid | small molecule | No | No | Yang F, Mao C, Guo L, Lin J, Ming Q, Xiao P, Wu X, Shen Q, Guo S, Shen D, Lu R, Zhang L, Huang S, Ping Y, Zhang C, Ma C, Zhang K, Liang X, Shen Y, Nan F, Yi F, Luca VC, Zhou J, Jiang C, Sun J, Xie X, Yu X, Zhang Y | 10.1038/S41586-020-2569-1 | 2020-09-09 | Yes | |
GPBAR | GPBA | Bile acid | A (Rhodopsin) | Human | cryo-EM | 7CFM | 7CFM_refined | 3.0 | R | Active | 100 | 83 | Gs | αs | - | 58 | - | Nanobody-35 |
P395
pubchem
chembl_ligand
|
none | Agonist | chenodeoxycholic acid, cholic acid, deoxycholic acid, lithocholic acid | small molecule | No | No | Yang F, Mao C, Guo L, Lin J, Ming Q, Xiao P, Wu X, Shen Q, Guo S, Shen D, Lu R, Zhang L, Huang S, Ping Y, Zhang C, Ma C, Zhang K, Liang X, Shen Y, Nan F, Yi F, Luca VC, Zhou J, Jiang C, Sun J, Xie X, Yu X, Zhang Y | 10.1038/S41586-020-2569-1 | 2020-09-09 | Yes | |
GLR | glucagon | Glucagon | B1 (Secretin) | Human | cryo-EM | 6WPW | 6WPW_refined | 3.1 | R | Active | 100 | 83 | Gs | αs | - | 56 | - | Nanobody-35 |
Glucagon derivative ZP3780
|
peptide | Agonist | glucagon | peptide | No | No | Hilger D, Kumar KK, Hu H, Pedersen MF, O’Brien ES, Giehm L, Jennings C, Eskici G, Inoue A, Lerch M, Mathiesen JM, Skiniotis G, Kobilka BK | 10.1126/SCIENCE.ABA3373 | 2020-08-12 | Yes | |
CNR1 | CB1 | Cannabinoid | A (Rhodopsin) | Human | cryo-EM | 6N4B | 6N4B_refined | 3.0 | R | Active | 100 | 58 | Gi/o | αi1 | - | 62 | - | scFv16 |
Fub-mdmb
pubchem
|
small molecule | Agonist | 2-arachidonoylglycerol, anandamide | small molecule | Yes | No | Krishna Kumar K, Shalev-Benami M, Robertson MJ, Hu H, Banister SD, Hollingsworth SA, Latorraca NR, Kato HE, Hilger D, Maeda S, Weis WI, Farrens DL, Dror RO, Malhotra SV, Kobilka BK, Skiniotis G | 10.1016/J.CELL.2018.11.040 | 2019-01-30 | Yes | |
CCR9 | CCR9 | Chemokine | A (Rhodopsin) | Human | X-ray | 5LWE | - | 2.8 | B | Inactive | 71 | 67 | - | - | - | - | - | - |
Vercirnon
pubchem
|
small molecule | Antagonist | CCL25 | protein | No | No | Oswald C, Rappas M, Kean J, Doré AS, Errey JC, Bennett K, Deflorian F, Christopher JA, Jazayeri A, Mason JS, Congreve M, Cooke RM, Marshall FH | 10.1038/NATURE20606 | 2016-12-07 | Yes | |
APJ | apelin | Apelin | A (Rhodopsin) | Human | X-ray | 5VBL | 5VBL_refined | 2.6 | B | Inactive | 7 | 79 | - | - | - | - | Rubredoxin | - |
AMG3054
|
peptide | Agonist | Elabela/Toddler-32, Elabela/Toddler-21, Elabela/Toddler-11, [Pyr1]apelin-13, apelin-13, apelin-36, apelin-17, apelin receptor early endogenous ligand | peptide | Yes | No | Ma Y, Yue Y, Ma Y, Zhang Q, Zhou Q, Song Y, Shen Y, Li X, Ma X, Li C, Hanson MA, Han GW, Sickmier EA, Swaminath G, Zhao S, Stevens RC, Hu LA, Zhong W, Zhang M, Xu F | 10.1016/J.STR.2017.04.008 | 2017-05-31 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 5G53 | 5G53_refined | 3.4 | A | Active | 100 | 68 | Gs | αs | Engineered G protein | 50 | - | - |
NECA
pubchem
|
small molecule | Agonist | adenosine | small molecule | Yes | No | Carpenter B, Nehmé R, Warne T, Leslie AGW, Tate CG | 10.1038/NATURE18966 | 2016-08-03 | Yes | |
OX1R | OX1 | Orexin | A (Rhodopsin) | Human | X-ray | 6TQ6 | 6TQ6_refined | 2.6 | B | Inactive | 1 | 71 | - | - | - | - | - | - |
2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
pubchem
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX1R | OX1 | Orexin | A (Rhodopsin) | Human | X-ray | 6TQ7 | 6TQ7_refined | 2.7 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
SB-334867
pubchem
chembl_ligand
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX2R | OX2 | Orexin | A (Rhodopsin) | Human | X-ray | 6TPJ | 6TPJ_refined | 2.7 | A | Inactive | 1 | 68 | - | - | - | - | GlgA glycogen synthase | - |
Suvorexant
pubchem
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX1R | OX1 | Orexin | A (Rhodopsin) | Human | X-ray | 6TOD | 6TOD_refined | 2.1 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
EMPA
pubchem
chembl_ligand
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX1R | OX1 | Orexin | A (Rhodopsin) | Human | X-ray | 6TO7 | 6TO7_refined | 2.3 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
Suvorexant
pubchem
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX1R | OX1 | Orexin | A (Rhodopsin) | Human | X-ray | 6TP6 | 6TP6_refined | 2.3 | B | Inactive | 1 | 71 | - | - | - | - | - | - |
Filorexant
pubchem
chembl_ligand
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX1R | OX1 | Orexin | A (Rhodopsin) | Human | X-ray | 6TQ4 | 6TQ4_refined | 2.3 | B | Inactive | 1 | 70 | - | - | - | - | - | - |
2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole
pubchem
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX1R | OX1 | Orexin | A (Rhodopsin) | Human | X-ray | 6TOT | 6TOT_refined | 2.2 | B | Inactive | 1 | 71 | - | - | - | - | - | - |
Lemborexant
pubchem
chembl_ligand
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-15 | Yes | |
OX1R | OX1 | Orexin | A (Rhodopsin) | Human | X-ray | 6TP3 | 6TP3_refined | 3.0 | A | Inactive | 1 | 74 | - | - | - | - | - | - |
Nemorexant
pubchem
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX1R | OX1 | Orexin | A (Rhodopsin) | Human | X-ray | 6TP4 | 6TP4_refined | 3.0 | B | Inactive | 1 | 71 | - | - | - | - | - | - |
ACT-462206
pubchem
chembl_ligand
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX2R | OX2 | Orexin | A (Rhodopsin) | Human | X-ray | 6TPG | 6TPG_refined | 2.7 | A | Inactive | 1 | 69 | - | - | - | - | GlgA glycogen synthase | - |
EMPA
pubchem
chembl_ligand
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX2R | OX2 | Orexin | A (Rhodopsin) | Human | X-ray | 6TPN | 6TPN_refined | 2.6 | A | Inactive | 1 | 71 | - | - | - | - | GlgA glycogen synthase | - |
HTL6641
pubchem
chembl_ligand
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
OX1R | OX1 | Orexin | A (Rhodopsin) | Human | X-ray | 6TOS | 6TOS_refined | 2.1 | B | Inactive | 1 | 72 | - | - | - | - | - | - |
GSK1059865
pubchem
chembl_ligand
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-15 | Yes | |
OX1R | OX1 | Orexin | A (Rhodopsin) | Human | X-ray | 6TQ9 | 6TQ9_refined | 2.7 | B | Inactive | 1 | 71 | - | - | - | - | - | - |
SB-408124
pubchem
chembl_ligand
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA | 10.1021/ACS.JMEDCHEM.9B01787 | 2020-01-01 | Yes | |
AA1R | A1 | Adenosine | A (Rhodopsin) | Human | X-ray | 5UEN | 5UEN_refined | 3.2 | B | Inactive | 0 | 88 | - | - | - | - | BRIL | - |
DU172
pubchem
|
small molecule | Antagonist | adenosine | small molecule | Yes | No | Glukhova A, Thal DM, Nguyen AT, Vecchio EA, Jörg M, Scammells PJ, May LT, Sexton PM, Christopoulos A | 10.1016/J.CELL.2017.01.042 | 2017-03-01 | Yes | |
SCTR | secretin | Glucagon | B1 (Secretin) | Human | cryo-EM | 6WZG | 6WZG_refined | 2.3 | R | Active | 100 | 86 | Gs | αs | - | 61 | - | Nanobody-35 |
secretin
|
peptide | Agonist | secretin, VIP | peptide | No | No | Dong M, Deganutti G, Piper SJ, Liang Y, Khoshouei M, Belousoff MJ, Harikumar KG, Reynolds CA, Glukhova A, Furness SGB, Christopoulos A, Danev R, Wootten D, Sexton PM, Miller LJ | 10.1038/S41467-020-17791-4 | 2020-08-12 | Yes | |
SCTR | secretin | Glucagon | B1 (Secretin) | Human | cryo-EM | 6WI9 | 6WI9_refined | 4.3 | R | Active | 100 | 84 | Gs | αs | - | 49 | - | Nanobody-35 |
secretin
|
peptide | Agonist | secretin, VIP | peptide | No | No | Dong M, Deganutti G, Piper SJ, Liang Y, Khoshouei M, Belousoff MJ, Harikumar KG, Reynolds CA, Glukhova A, Furness SGB, Christopoulos A, Danev R, Wootten D, Sexton PM, Miller LJ | 10.1038/S41467-020-17791-4 | 2020-08-12 | Yes | |
5HT2A | 5-HT2A | 5-Hydroxytryptamine | A (Rhodopsin) | Human | X-ray | 6WGT | 6WGT_refined | 3.4 | B | Inactive | 1 | 59 | - | - | - | - | BRIL | - |
Lysergide
pubchem
|
small molecule | Agonist | 5-hydroxytryptamine, tryptamine | small molecule | Yes | No | Kim K, Che T, Panova O, DiBerto JF, Lyu J, Krumm BE, Wacker D, Robertson MJ, Seven AB, Nichols DE, Shoichet BK, Skiniotis G, Roth BL | 10.1016/J.CELL.2020.08.024 | 2020-09-23 | Yes | |
5HT2A | 5-HT2A | 5-Hydroxytryptamine | A (Rhodopsin) | Human | cryo-EM | 6WHA | 6WHA_refined | 3.4 | A | Active | 100 | 52 | Gq/11 | αq | Gq-Gi2 chimera | 59 | BRIL | scFv16 |
25-CN-NBOH
pubchem
|
small molecule | Agonist | 5-hydroxytryptamine, tryptamine | small molecule | Yes | No | Kim K, Che T, Panova O, DiBerto JF, Lyu J, Krumm BE, Wacker D, Robertson MJ, Seven AB, Nichols DE, Shoichet BK, Skiniotis G, Roth BL | 10.1016/J.CELL.2020.08.024 | 2020-09-23 | Yes | |
5HT2A | 5-HT2A | 5-Hydroxytryptamine | A (Rhodopsin) | Human | X-ray | 6WH4 | 6WH4_refined | 3.4 | C | Inactive | 1 | 59 | - | - | - | - | BRIL | - |
CHEMBL428892
pubchem
chembl_ligand
|
small molecule | Inverse agonist | 5-hydroxytryptamine, tryptamine | small molecule | Yes | No | Kim K, Che T, Panova O, DiBerto JF, Lyu J, Krumm BE, Wacker D, Robertson MJ, Seven AB, Nichols DE, Shoichet BK, Skiniotis G, Roth BL | 10.1016/J.CELL.2020.08.024 | 2020-09-23 | Yes | |
PE2R3 | EP3 | Prostanoid | A (Rhodopsin) | Human | X-ray | 6M9T | 6M9T_refined | 2.5 | A | Active | 91 | 70 | - | - | - | - | T4-Lysozyme | - |
Misoprostol-FA
pubchem
|
small molecule | Agonist | PGE1, PGD2, PGE2, PGF2α, PGI2 | small molecule | Yes | No | Audet M, White KL, Breton B, Zarzycka B, Han GW, Lu Y, Gati C, Batyuk A, Popov P, Velasquez J, Manahan D, Hu H, Weierstall U, Liu W, Shui W, Katritch V, Cherezov V, Hanson MA, Stevens RC | 10.1038/S41589-018-0160-Y | 2018-12-05 | Yes | |
OPRX | NOP | Opioid | A (Rhodopsin) | Human | X-ray | 5DHH | 5DHH_refined | 3.0 | A | Inactive | 7 | 76 | - | - | - | - | BRIL | - |
SB-612111
pubchem
|
small molecule | Antagonist | nociceptin/orphanin FQ | peptide | Yes | No | Miller RL, Thompson AA, Trapella C, Guerrini R, Malfacini D, Patel N, Han GW, Cherezov V, Caló G, Katritch V, Stevens RC | 10.1016/J.STR.2015.07.024 | 2015-10-21 | Yes | |
OPRX | NOP | Opioid | A (Rhodopsin) | Human | X-ray | 5DHG | 5DHG_refined | 3.0 | A | Inactive | 7 | 76 | - | - | - | - | BRIL | - |
C-35
pubchem
|
small molecule | Antagonist | nociceptin/orphanin FQ | peptide | Yes | No | Miller RL, Thompson AA, Trapella C, Guerrini R, Malfacini D, Patel N, Han GW, Cherezov V, Caló G, Katritch V, Stevens RC | 10.1016/J.STR.2015.07.024 | 2015-10-21 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 (Secretin) | Human | X-ray | 5NX2 | 5NX2_refined | 3.7 | A | Intermediate | 73 | 84 | - | - | - | - | - | - |
Truncated protein agonist
|
peptide | Agonist | glucagon, glucagon-like peptide 1-(7-36) amide, glucagon-like peptide 1-(7-37) | peptide | No | No | Jazayeri A, Rappas M, Brown AJH, Kean J, Errey JC, Robertson NJ, Fiez-Vandal C, Andrews SP, Congreve M, Bortolato A, Mason JS, Baig AH, Teobald I, Doré AS, Weir M, Cooke RM, Marshall FH | 10.1038/NATURE22800 | 2017-06-14 | Yes | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A (Rhodopsin) | Human | X-ray | 5TUD | - | 3.0 | D | Active | 84 | 58 | - | - | - | - | BRIL | Antibody |
Ergotamine
pubchem
|
small molecule | Agonist | 5-hydroxytryptamine | small molecule | Yes | No | Ishchenko A, Wacker D, Kapoor M, Zhang A, Han GW, Basu S, Patel N, Messerschmidt M, Weierstall U, Liu W, Katritch V, Roth BL, Stevens RC, Cherezov V | 10.1073/PNAS.1700891114 | 2017-07-26 | Yes | |
CCR5 | CCR5 | Chemokine | A (Rhodopsin) | Human | X-ray | 5UIW | 5UIW_refined | 2.2 | A | Inactive | 24 | 85 | - | - | - | - | Rubredoxin | - |
5P7-CCL5
|
protein | Antagonist | CCL16, CCL14, CCL3, CCL5, CCL7, CCL13, CCL8, CCL4, CCL2, CCL11 | protein | No | No | Zheng Y, Han GW, Abagyan R, Wu B, Stevens RC, Cherezov V, Kufareva I, Handel TM | 10.1016/J.IMMUNI.2017.05.002 | 2017-06-28 | Yes | |
OPRK | κ | Opioid | A (Rhodopsin) | Human | X-ray | 6VI4 | 6VI4_refined | 3.3 | B | Inactive | 7 | 73 | - | - | - | - | - | Nanobody 6 |
JDTic
pubchem
|
small molecule | Antagonist | α-neoendorphin, [Leu]enkephalin, [Met]enkephalin, dynorphin A-(1-13), dynorphin A, dynorphin A-(1-8), dynorphin B, β-endorphin, β-neoendorphin, big dynorphin | peptide | Yes | No | Che T, English J, Krumm BE, Kim K, Pardon E, Olsen RHJ, Wang S, Zhang S, Diberto JF, Sciaky N, Carroll FI, Steyaert J, Wacker D, Roth BL | 10.1038/S41467-020-14889-7 | 2020-03-18 | Yes | |
GABR2 | GABAB2 | GABAB | C (Glutamate) | Human | cryo-EM | 7C7S | - | 2.9 | B | Inactive | 0 | 71 | - | - | - | - | - | - |
CGP54626
pubchem
|
small molecule | Antagonist | GABA | small molecule | No | No | Mao C, Shen C, Li C, Shen D, Xu C, Zhang S, Zhou R, Shen Q, Chen L, Jiang Z, Liu J, Zhang Y | 10.1038/S41422-020-0350-5 | 2020-07-01 | Yes | |
GABR2 | GABAB2 | GABAB | C (Glutamate) | Human | cryo-EM | 7C7Q | - | 3.0 | B | Active | 100 | 71 | - | - | - | - | - | - |
BHFF
pubchem
Baclofen pubchem |
small molecule small molecule |
PAM Agonist |
GABA | small molecule | No | No | Mao C, Shen C, Li C, Shen D, Xu C, Zhang S, Zhou R, Shen Q, Chen L, Jiang Z, Liu J, Zhang Y | 10.1038/S41422-020-0350-5 | 2020-07-01 | Yes | |
PACR | PAC1 | VIP and PACAP | B1 (Secretin) | Human | cryo-EM | 6P9Y | 6P9Y_refined | 3.0 | R | Active | 100 | 55 | Gs | αs | - | 49 | - | Nanobody-35 |
PACAP
pubchem
|
peptide | Agonist | VIP, PACAP-27, PACAP-38, PHM, PHV, PHI | peptide | No | No | Liang Y, Belousoff MJ, Zhao P, Koole C, Fletcher MM, Truong TT, Julita V, Christopoulos G, Xu HE, Zhang Y, Khoshouei M, Christopoulos A, Danev R, Sexton PM, Wootten D | 10.1016/J.MOLCEL.2020.01.012 | 2020-02-05 | Yes | |
CRFR1 | CRF1 | Corticotropin-releasing factor | B1 (Secretin) | Human | cryo-EM | 6P9X | 6P9X_refined | 2.9 | R | Active | 100 | 65 | Gs | αs | - | 49 | - | Nanobody-35 |
Corticoliberin
pubchem
|
peptide | Agonist | urocortin 2, corticotrophin-releasing hormone, urocortin 1 | peptide | No | No | Liang Y, Belousoff MJ, Zhao P, Koole C, Fletcher MM, Truong TT, Julita V, Christopoulos G, Xu HE, Zhang Y, Khoshouei M, Christopoulos A, Danev R, Sexton PM, Wootten D | 10.1016/J.MOLCEL.2020.01.012 | 2020-02-05 | Yes | |
P2Y12 | P2Y12 | P2Y | A (Rhodopsin) | Human | X-ray | 4NTJ | 4NTJ_refined | 2.6 | A | Intermediate | 51 | 78 | - | - | - | - | BRIL | - |
AZD1283
pubchem
|
small molecule | Antagonist | ADP | small molecule | Yes | No | Zhang K, Zhang J, Gao Z, Zhang D, Zhu L, Han GW, Moss SM, Paoletta S, Kiselev E, Lu W, Fenalti G, Zhang W, Müller CE, Yang H, Jiang H, Cherezov V, Katritch V, Jacobson KA, Stevens RC, Wu B, Zhao Q | 10.1038/NATURE13083 | 2014-03-26 | Yes | |
TA2R | TP | Prostanoid | A (Rhodopsin) | Human | X-ray | 6IIV | 6IIV_refined | 3.0 | A | Intermediate | 51 | 87 | - | - | - | - | BRIL | - |
Daltroban
pubchem
chembl_ligand
|
small molecule | Antagonist | PGD2, PGE2, PGF2α, PGI2, thromboxane A2 | small molecule | No | No | Fan H, Chen S, Yuan X, Han S, Zhang H, Xia W, Xu Y, Zhao Q, Wu B | 10.1038/S41589-018-0170-9 | 2018-12-19 | Yes | |
TA2R | TP | Prostanoid | A (Rhodopsin) | Human | X-ray | 6IIU | 6IIU_refined | 2.5 | A | Intermediate | 51 | 87 | - | - | - | - | BRIL | - |
Ramatroban
pubchem
chembl_ligand
|
small molecule | Antagonist | PGD2, PGE2, PGF2α, PGI2, thromboxane A2 | small molecule | No | No | Fan H, Chen S, Yuan X, Han S, Zhang H, Xia W, Xu Y, Zhao Q, Wu B | 10.1038/S41589-018-0170-9 | 2018-12-19 | Yes | |
VIPR1 | VPAC1 | VIP and PACAP | B1 (Secretin) | Human | cryo-EM | 6VN7 | 6VN7_refined | 3.2 | R | Active | 100 | 58 | Gs | αs | - | 61 | - | Nanobody-35 |
PACAP
pubchem
|
peptide | Agonist | secretin, GHRH, VIP, PACAP-27, PACAP-38, PHM, PHV, PHI | peptide | No | No | Duan J, Shen D, Zhou XE, Bi P, Liu Q, Tan Y, Zhuang Y, Zhang H, Xu P, Huang S, Ma S, He X, Melcher K, Zhang Y, Xu HE, Jiang Y | 10.1038/S41467-020-17933-8 | 2020-09-02 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 (Secretin) | Human | cryo-EM | 6X1A | 6X1A_refined | 2.5 | R | Active | 100 | 84 | Gs | αs | - | 89 | - | Nanobody-35 |
PF-06882961
pubchem
|
small molecule | Agonist | glucagon, glucagon-like peptide 1-(7-36) amide, glucagon-like peptide 1-(7-37) | peptide | No | No | Zhang X, Belousoff MJ, Zhao P, Kooistra AJ, Truong TT, Ang SY, Underwood CR, Egebjerg T, Šenel P, Stewart GD, Liang Y, Glukhova A, Venugopal H, Christopoulos A, Furness SGB, Miller LJ, Reedtz-Runge S, Langmead CJ, Gloriam DE, Danev R, Sexton PM, Wootten D | 10.1101/2020.08.16.252585 | 2020-09-09 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 (Secretin) | Human | cryo-EM | 6X19 | 6X19_refined | 2.1 | R | Active | 100 | 84 | Gs | αs | - | 89 | - | Nanobody-35 |
CHU-128
pubchem
|
small molecule | Agonist | glucagon, glucagon-like peptide 1-(7-36) amide, glucagon-like peptide 1-(7-37) | peptide | No | No | Zhang X, Belousoff MJ, Zhao P, Kooistra AJ, Truong TT, Ang SY, Underwood CR, Egebjerg T, Šenel P, Stewart GD, Liang Y, Glukhova A, Venugopal H, Christopoulos A, Furness SGB, Miller LJ, Reedtz-Runge S, Langmead CJ, Gloriam DE, Danev R, Sexton PM, Wootten D | 10.1101/2020.08.16.252585 | 2020-09-09 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 (Secretin) | Human | cryo-EM | 6X18 | 6X18_refined | 2.1 | R | Active | 100 | 83 | Gs | αs | - | 90 | - | Nanobody-35 |
GLP-1
|
peptide | Agonist | glucagon, glucagon-like peptide 1-(7-36) amide, glucagon-like peptide 1-(7-37) | peptide | No | No | Zhang X, Belousoff MJ, Zhao P, Kooistra AJ, Truong TT, Ang SY, Underwood CR, Egebjerg T, Šenel P, Stewart GD, Liang Y, Glukhova A, Venugopal H, Christopoulos A, Furness SGB, Miller LJ, Reedtz-Runge S, Langmead CJ, Gloriam DE, Danev R, Sexton PM, Wootten D | 10.1101/2020.08.16.252585 | 2020-09-09 | Yes | |
GRM1 | mGlu1 | Metabotropic glutamate | C (Glutamate) | Human | X-ray | 4OR2 | 4OR2_refined | 2.8 | B | Inactive | 13 | 22 | - | - | - | - | BRIL | - |
FITM
pubchem
|
small molecule | NAM | L-glutamic acid | small molecule | No | No | Wu H, Wang C, Gregory KJ, Han GW, Cho HP, Xia Y, Niswender CM, Katritch V, Meiler J, Cherezov V, Conn PJ, Stevens RC | 10.1126/SCIENCE.1249489 | 2014-03-19 | Yes | |
5HT2C | 5-HT2C | 5-Hydroxytryptamine | A (Rhodopsin) | Human | X-ray | 6BQH | - | 2.7 | A | Inactive | 1 | 63 | - | - | - | - | BRIL | - |
Ritanserin
pubchem
|
small molecule | Inverse agonist | 5-hydroxytryptamine | small molecule | Yes | No | Peng Y, McCorvy JD, Harpsøe K, Lansu K, Yuan S, Popov P, Qu L, Pu M, Che T, Nikolajsen LF, Huang X, Wu Y, Shen L, Bjørn-Yoshimoto WE, Ding K, Wacker D, Han GW, Cheng J, Katritch V, Jensen AA, Hanson MA, Zhao S, Gloriam DE, Roth BL, Stevens RC, Liu Z | 10.1016/J.CELL.2018.01.001 | 2018-02-14 | Yes | |
5HT2C | 5-HT2C | 5-Hydroxytryptamine | A (Rhodopsin) | Human | X-ray | 6BQG | - | 3.0 | A | Active | 84 | 62 | - | - | - | - | BRIL | - |
Ergotamine
pubchem
|
small molecule | Agonist | 5-hydroxytryptamine | small molecule | Yes | No | Peng Y, McCorvy JD, Harpsøe K, Lansu K, Yuan S, Popov P, Qu L, Pu M, Che T, Nikolajsen LF, Huang X, Wu Y, Shen L, Bjørn-Yoshimoto WE, Ding K, Wacker D, Han GW, Cheng J, Katritch V, Jensen AA, Hanson MA, Zhao S, Gloriam DE, Roth BL, Stevens RC, Liu Z | 10.1016/J.CELL.2018.01.001 | 2018-02-14 | Yes | |
PTH1R | PTH1 | Parathyroid hormone | B1 (Secretin) | Human | X-ray | 6FJ3 | 6FJ3_refined | 2.5 | A | Inactive | 0 | 62 | - | - | - | - | GlgA glycogen synthase | - |
ePTH
|
peptide | Agonist (partial) | PTHrP, TIP39, PTH, PTHrP-(1-36) | protein | No | No | Ehrenmann J, Schöppe J, Klenk C, Rappas M, Kummer L, Doré AS, Plückthun A | 10.1038/S41594-018-0151-4 | 2018-11-21 | Yes | |
ACM4 | M4 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | X-ray | 6KP6 | 6KP6_refined | 3.0 | A | Inactive | 4 | 59 | - | - | - | - | GlgA glycogen synthase | - | - | - | - | acetylcholine | small molecule | Yes | No | Wang J, Wu M, Wu L, Xu Y, Li F, Wu Y, Popov P, Wang L, Bai F, Zhao S, Liu Z, Hua T | 10.1107/S2052252520000597 | 2020-03-11 | Yes | |
Q80KM9 | US28 | Unclassified | A (Rhodopsin) | strain AD169 | X-ray | 5WB1 | 5WB1_refined | 3.5 | A | Active | 98 | 82 | - | - | - | - | - | Nanobody | - | - | - | - | - | Yes | No | Miles TF, Spiess K, Jude KM, Tsutsumi N, Burg JS, Ingram JR, Waghray D, Hjorto GM, Larsen O, Ploegh HL, Rosenkilde MM, Garcia KC | 10.7554/ELIFE.35850 | 2018-06-13 | Yes | |
Q80KM9 | US28 | Unclassified | A (Rhodopsin) | strain AD169 | X-ray | 5WB2 | 5WB2_refined | 3.5 | A | Active | 98 | 82 | - | - | - | - | - | Nanobody |
CX3CL1
|
peptide | Agonist | - | - | Yes | No | Miles TF, Spiess K, Jude KM, Tsutsumi N, Burg JS, Ingram JR, Waghray D, Hjorto GM, Larsen O, Ploegh HL, Rosenkilde MM, Garcia KC | 10.7554/ELIFE.35850 | 2018-06-13 | Yes | |
ACM1 | M1 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | X-ray | 6WJC | 6WJC_refined | 2.6 | A | Inactive | 4 | 62 | - | - | - | - | T4-Lysozyme | - |
Hyoscyamine
pubchem
Muscarinic toxin 7 |
small molecule peptide |
Antagonist NAM |
acetylcholine | small molecule | No | No | Maeda S, Xu J, N. Kadji FM, Clark MJ, Zhao J, Tsutsumi N, Aoki J, Sunahara RK, Inoue A, Garcia KC, Kobilka BK | 10.1126/SCIENCE.AAX2517 | 2020-07-08 | Yes | |
NPY1R | Y1 | Neuropeptide Y | A (Rhodopsin) | Human | X-ray | 5ZBH | 5ZBH_refined | 3.0 | A | Inactive | 0 | 78 | - | - | - | - | T4-Lysozyme | - |
BMS-193885
pubchem
|
small molecule | Antagonist | neuropeptide Y, pancreatic polypeptide, peptide YY | peptide | Yes | No | Yang Z, Han S, Keller M, Kaiser A, Bender BJ, Bosse M, Burkert K, Kögler LM, Wifling D, Bernhardt G, Plank N, Littmann T, Schmidt P, Yi C, Li B, Ye S, Zhang R, Xu B, Larhammar D, Stevens RC, Huster D, Meiler J, Zhao Q, Beck-Sickinger AG, Buschauer A, Wu B | 10.1038/S41586-018-0046-X | 2018-04-25 | Yes | |
NPY1R | Y1 | Neuropeptide Y | A (Rhodopsin) | Human | X-ray | 5ZBQ | 5ZBQ_refined | 2.7 | A | Inactive | 0 | 80 | - | - | - | - | T4-Lysozyme | - |
UR-MK299
pubchem
|
small molecule | Antagonist | neuropeptide Y, pancreatic polypeptide, peptide YY | peptide | Yes | No | Yang Z, Han S, Keller M, Kaiser A, Bender BJ, Bosse M, Burkert K, Kögler LM, Wifling D, Bernhardt G, Plank N, Littmann T, Schmidt P, Yi C, Li B, Ye S, Zhang R, Xu B, Larhammar D, Stevens RC, Huster D, Meiler J, Zhao Q, Beck-Sickinger AG, Buschauer A, Wu B | 10.1038/S41586-018-0046-X | 2018-04-25 | Yes | |
OPRD | δ | Opioid | A (Rhodopsin) | Human | X-ray | 6PT2 | 6PT2_refined | 2.8 | A | Active | 80 | 78 | - | - | - | - | BRIL | - |
KGCHM07
|
peptide | Agonist | α-neoendorphin, [Leu]enkephalin, [Met]enkephalin, dynorphin A-(1-13), dynorphin A, dynorphin A-(1-8), dynorphin B, endomorphin-1, β-endorphin | peptide | No | No | Claff T, Yu J, Blais V, Patel N, Martin C, Wu L, Han GW, Holleran BJ, Van der Poorten O, White KL, Hanson MA, Sarret P, Gendron L, Cherezov V, Katritch V, Ballet S, Liu Z, Müller CE, Stevens RC | 10.1126/SCIADV.AAX9115 | 2019-12-11 | Yes | |
OPRD | δ | Opioid | A (Rhodopsin) | Human | X-ray | 6PT3 | 6PT3_refined | 3.3 | A | Active | 80 | 78 | - | - | - | - | BRIL | - |
DPI-287
pubchem
|
small molecule | Agonist | α-neoendorphin, [Leu]enkephalin, [Met]enkephalin, dynorphin A-(1-13), dynorphin A, dynorphin A-(1-8), dynorphin B, endomorphin-1, β-endorphin | peptide | No | No | Claff T, Yu J, Blais V, Patel N, Martin C, Wu L, Han GW, Holleran BJ, Van der Poorten O, White KL, Hanson MA, Sarret P, Gendron L, Cherezov V, Katritch V, Ballet S, Liu Z, Müller CE, Stevens RC | 10.1126/SCIADV.AAX9115 | 2019-12-11 | Yes | |
FFAR1 | FFA1 | Free fatty acid | A (Rhodopsin) | Human | X-ray | 5TZR | 5TZR_refined | 2.2 | A | Intermediate | 51 | 91 | - | - | - | - | T4-Lysozyme | - |
MK-8666
pubchem
|
small molecule | Agonist | α-linolenic acid, docosahexaenoic acid, oleic acid, myristic acid | small molecule | No | No | Lu J, Byrne N, Wang J, Bricogne G, Brown FK, Chobanian HR, Colletti SL, Di Salvo J, Thomas-Fowlkes B, Guo Y, Hall DL, Hadix J, Hastings NB, Hermes JD, Ho T, Howard AD, Josien H, Kornienko M, Lumb KJ, Miller MW, Patel SB, Pio B, Plummer CW, Sherborne BS, Sheth P, Souza S, Tummala S, Vonrhein C, Webb M, Allen SJ, Johnston JM, Weinglass AB, Sharma S, Soisson SM | 10.1038/NSMB.3417 | 2017-06-07 | Yes | |
FFAR1 | FFA1 | Free fatty acid | A (Rhodopsin) | Human | X-ray | 5TZY | 5TZY_refined | 3.2 | A | Intermediate | 51 | 91 | - | - | - | - | T4-Lysozyme | - |
(2S,3R)-3-Cyclopropyl-3-[(2R)-2-[1-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]piperidin-4-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
pubchem
MK-8666 pubchem |
small molecule small molecule |
PAM Agonist |
α-linolenic acid, docosahexaenoic acid, oleic acid, myristic acid | small molecule | No | No | Lu J, Byrne N, Wang J, Bricogne G, Brown FK, Chobanian HR, Colletti SL, Di Salvo J, Thomas-Fowlkes B, Guo Y, Hall DL, Hadix J, Hastings NB, Hermes JD, Ho T, Howard AD, Josien H, Kornienko M, Lumb KJ, Miller MW, Patel SB, Pio B, Plummer CW, Sherborne BS, Sheth P, Souza S, Tummala S, Vonrhein C, Webb M, Allen SJ, Johnston JM, Weinglass AB, Sharma S, Soisson SM | 10.1038/NSMB.3417 | 2017-06-07 | Yes | |
AA1R | A1 | Adenosine | A (Rhodopsin) | Human | cryo-EM | 6D9H | 6D9H_refined | 3.6 | R | Active | 100 | 88 | Gi/o | αi2 | - | 59 | - | - |
adenosine
pubchem
|
small molecule | Agonist | adenosine | small molecule | Yes | No | Draper-Joyce CJ, Khoshouei M, Thal DM, Liang Y, Nguyen ATN, Furness SGB, Venugopal H, Baltos J, Plitzko JM, Danev R, Baumeister W, May LT, Wootten D, Sexton PM, Glukhova A, Christopoulos A | 10.1038/S41586-018-0236-6 | 2018-06-20 | Yes | |
CALCR | CT | Calcitonin | B1 (Secretin) | Human | cryo-EM | 6NIY | 6NIY_refined | 3.3 | R | Active | 100 | 55 | Gs | αs | - | 43 | - | - |
calcitonin
|
peptide | Agonist | calcitonin, adrenomedullin, amylin, α-CGRP, β-CGRP, adrenomedullin 2/intermedin | peptide | No | No | dal Maso E, Glukhova A, Zhu Y, Garcia-Nafria J, Tate CG, Atanasio S, Reynolds CA, Ramírez-Aportela E, Carazo J, Hick CA, Furness SGB, Hay DL, Liang Y, Miller LJ, Christopoulos A, Wang M, Wootten D, Sexton PM | 10.1021/ACSPTSCI.8B00056 | 2019-01-23 | Yes | |
CALRL | calcitonin-like | Calcitonin | B1 (Secretin) | Human | cryo-EM | 6UUS | 6UUS_refined | 2.4 | R | Active | 100 | 74 | Gs | αs | - | 48 | - | Nanobody-35 RAMP3 |
adrenomedullin
|
peptide | Agonist | adrenomedullin, α-CGRP, β-CGRP, adrenomedullin 2/intermedin, α-CGRP-(8-37) (rat) | peptide | No | No | Liang Y, Belousoff MJ, Fletcher MM, Zhang X, Khoshouei M, Deganutti G, Koole C, Furness SGB, Miller LJ, Hay DL, Christopoulos A, Reynolds CA, Danev R, Wootten D, Sexton PM | 10.1021/ACSPTSCI.9B00080 | 2020-04-01 | Yes | |
CALRL | calcitonin-like | Calcitonin | B1 (Secretin) | Human | cryo-EM | 6UUN | 6UUN_refined | 3.0 | R | Active | 100 | 77 | Gs | αs | - | 48 | - | Nanobody-35 RAMP2 |
adrenomedullin
|
peptide | Agonist | adrenomedullin, α-CGRP, β-CGRP, adrenomedullin 2/intermedin, α-CGRP-(8-37) (rat) | peptide | No | No | Liang Y, Belousoff MJ, Fletcher MM, Zhang X, Khoshouei M, Deganutti G, Koole C, Furness SGB, Miller LJ, Hay DL, Christopoulos A, Reynolds CA, Danev R, Wootten D, Sexton PM | 10.1021/ACSPTSCI.9B00080 | 2020-03-25 | Yes | |
CALRL | calcitonin-like | Calcitonin | B1 (Secretin) | Human | cryo-EM | 6UVA | 6UVA_refined | 2.3 | R | Active | 100 | 75 | Gs | αs | - | 48 | - | Nanobody-35 RAMP3 |
Adrenomedullin-2
|
peptide | Agonist | adrenomedullin, α-CGRP, β-CGRP, adrenomedullin 2/intermedin, α-CGRP-(8-37) (rat) | peptide | No | No | Liang Y, Belousoff MJ, Fletcher MM, Zhang X, Khoshouei M, Deganutti G, Koole C, Furness SGB, Miller LJ, Hay DL, Christopoulos A, Reynolds CA, Danev R, Wootten D, Sexton PM | 10.1021/ACSPTSCI.9B00080 | 2020-04-01 | Yes | |
SMO | SMO | Frizzled | F (Frizzled) | Human | cryo-EM | 6XBM | 6XBM_refined | 3.2 | R | Active | 100 | 42 | Gi/o | αi1 | - | 61 | - | scFv16 |
24,25-Epoxy-cholesterol
pubchem
24,25-Epoxy-cholesterol pubchem |
small molecule small molecule |
Agonist PAM |
constitutive | constitutive | No | No | Qi X, Friedberg L, De Bose-Boyd R, Long T, Li X | 10.1038/S41589-020-0646-2 | 2020-09-30 | Yes | |
SMO | SMO | Frizzled | F (Frizzled) | Human | cryo-EM | 6XBK | 6XBK_refined | 3.2 | R | Active | 100 | 59 | Gi/o | αi1 | - | 61 | - | scFv16 |
Cholesterol
pubchem
|
N/A | Agonist | constitutive | constitutive | No | No | Qi X, Friedberg L, De Bose-Boyd R, Long T, Li X | 10.1038/S41589-020-0646-2 | 2020-09-30 | Yes | |
SMO | SMO | Frizzled | F (Frizzled) | Human | cryo-EM | 6XBL | 6XBL_refined | 3.9 | R | Active | 100 | 59 | Gi/o | αi1 | - | 61 | - | scFv16 |
SAG
pubchem
Cholesterol pubchem |
small molecule N/A |
PAM Agonist |
constitutive | constitutive | No | No | Qi X, Friedberg L, De Bose-Boyd R, Long T, Li X | 10.1038/S41589-020-0646-2 | 2020-09-30 | Yes | |
SMO | SMO | Frizzled | F (Frizzled) | Human | cryo-EM | 6XBJ | 6XBJ_refined | 3.9 | R | Active | 100 | 59 | Gi/o | αi1 | - | 61 | - | scFv16 |
Cholesterol
pubchem
|
N/A | Agonist | constitutive | constitutive | No | No | Qi X, Friedberg L, De Bose-Boyd R, Long T, Li X | 10.1038/S41589-020-0646-2 | 2020-09-30 | Yes | |
ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | X-ray | 3SN6 | 3SN6_refined | 3.2 | R | Active | 100 | 69 | Gs | αs | - | 89 | T4-Lysozyme | Antibody |
BI-167107
pubchem
|
small molecule | Agonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline, Zn2+ | small molecule | Yes | No | Rasmussen SGF, DeVree BT, Zou Y, Kruse AC, Chung KY, Kobilka TS, Thian FS, Chae PS, Pardon E, Calinski D, Mathiesen JM, Shah STA, Lyons JA, Caffrey M, Gellman SH, Steyaert J, Skiniotis G, Weis WI, Sunahara RK, Kobilka BK | 10.1038/NATURE10361 | 2011-07-20 | Yes | |
ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Wild turkey | X-ray | 5F8U | 5F8U_refined | 3.4 | A | Inactive | 0 | 57 | - | - | - | - | - | - |
(S)-Cyanopindolol
pubchem
|
small molecule | Antagonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline | small molecule | Yes | No | Leslie AGW, Warne T, Tate CG | 10.1038/NSMB.3130 | 2015-12-23 | Yes | |
OPRD | δ | Opioid | A (Rhodopsin) | Human | X-ray | 4RWA | - | 3.3 | A | Inactive | 7 | 77 | - | - | - | - | BRIL | - |
DIPP-NH2
|
peptide | Antagonist | α-neoendorphin, [Leu]enkephalin, [Met]enkephalin, dynorphin A-(1-13), dynorphin A, dynorphin A-(1-8), dynorphin B, endomorphin-1, β-endorphin | peptide | Yes | No | Fenalti G, Zatsepin NA, Betti C, Giguere P, Han GW, Ishchenko A, Liu W, Guillemyn K, Zhang H, James D, Wang D, Weierstall U, Spence JCH, Boutet S, Messerschmidt M, Williams GJ, Gati C, Yefanov OM, White TA, Oberthuer D, Metz M, Yoon CH, Barty A, Chapman HN, Basu S, Coe J, Conrad CE, Fromme R, Fromme P, Tourwé D, Schiller PW, Roth BL, Ballet S, Katritch V, Stevens RC, Cherezov V | 10.1038/NSMB.2965 | 2015-01-14 | No | |
OPRD | δ | Opioid | A (Rhodopsin) | Human | X-ray | 4RWD | 4RWD_refined | 2.7 | A | Inactive | 7 | 79 | - | - | - | - | BRIL | - |
DIPP-NH2
|
peptide | Antagonist | α-neoendorphin, [Leu]enkephalin, [Met]enkephalin, dynorphin A-(1-13), dynorphin A, dynorphin A-(1-8), dynorphin B, endomorphin-1, β-endorphin | peptide | Yes | Yes | Fenalti G, Zatsepin NA, Betti C, Giguere P, Han GW, Ishchenko A, Liu W, Guillemyn K, Zhang H, James D, Wang D, Weierstall U, Spence JCH, Boutet S, Messerschmidt M, Williams GJ, Gati C, Yefanov OM, White TA, Oberthuer D, Metz M, Yoon CH, Barty A, Chapman HN, Basu S, Coe J, Conrad CE, Fromme R, Fromme P, Tourwé D, Schiller PW, Roth BL, Ballet S, Katritch V, Stevens RC, Cherezov V | 10.1038/NSMB.2965 | 2015-01-14 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 2YDO | 2YDO_refined | 3.0 | A | Active | 80 | 73 | - | - | - | - | - | - |
adenosine
pubchem
|
small molecule | Agonist | adenosine | small molecule | Yes | No | Lebon G, Warne T, Edwards PC, Bennett K, Langmead CJ, Leslie AGW, Tate CG | 10.1038/NATURE10136 | 2011-05-18 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 2YDV | 2YDV_refined | 2.6 | A | Active | 80 | 75 | - | - | - | - | - | - |
NECA
pubchem
|
small molecule | Agonist | adenosine | small molecule | Yes | No | Lebon G, Warne T, Edwards PC, Bennett K, Langmead CJ, Leslie AGW, Tate CG | 10.1038/NATURE10136 | 2011-05-18 | Yes | |
EDNRB | ETB | Endothelin | A (Rhodopsin) | Human | X-ray | 5GLH | 5GLH_refined | 2.8 | A | Inactive | 16 | 66 | - | - | - | - | T4-Lysozyme | - |
Endothelin-1
pubchem
|
peptide | Agonist | endothelin-3, Big endothelin-1, endothelin-2 | peptide | Yes | No | Shihoya W, Nishizawa T, Okuta A, Tani K, Dohmae N, Fujiyoshi Y, Nureki O, Doi T | 10.1038/NATURE19319 | 2016-09-07 | Yes | |
EDNRB | ETB | Endothelin | A (Rhodopsin) | Human | X-ray | 5GLI | 5GLI_refined | 2.5 | A | Inactive | 16 | 71 | - | - | - | - | T4-Lysozyme | - |
Apo (no ligand)
|
none | Apo (no ligand) | endothelin-3, Big endothelin-1, endothelin-2 | peptide | Yes | No | Shihoya W, Nishizawa T, Okuta A, Tani K, Dohmae N, Fujiyoshi Y, Nureki O, Doi T | 10.1038/NATURE19319 | 2016-09-07 | Yes | |
PD2R2 | DP2 | Prostanoid | A (Rhodopsin) | Human | X-ray | 6D27 | 6D27_refined | 2.7 | A | Inactive | 34 | 81 | - | - | - | - | T4-Lysozyme | - |
CAY10471
pubchem
chembl_ligand
|
small molecule | Antagonist | PGD2, PGE2, PGF2α, PGJ2, PGI2, PGD3 | small molecule | Yes | No | Wang L, Yao D, Deepak RK, Liu H, Xiao Q, Fan H, Gong W, Wei Z, Zhang C | 10.1016/J.MOLCEL.2018.08.009 | 2018-10-03 | Yes | |
PD2R2 | DP2 | Prostanoid | A (Rhodopsin) | Human | X-ray | 6D26 | 6D26_refined | 2.8 | A | Inactive | 34 | 82 | - | - | - | - | T4-Lysozyme | - |
Fevipiprant
pubchem
|
small molecule | Antagonist | PGD2, PGE2, PGF2α, PGJ2, PGI2, PGD3 | small molecule | Yes | No | Wang L, Yao D, Deepak RK, Liu H, Xiao Q, Fan H, Gong W, Wei Z, Zhang C | 10.1016/J.MOLCEL.2018.08.009 | 2018-10-03 | Yes | |
OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | X-ray | 2I36 | - | 4.1 | A | Intermediate | 39 | 94 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | Retinal | small molecule | No | No | Salom D, Lodowski DT, Stenkamp RE, Trong IL, Golczak M, Jastrzebska B, Harris T, Ballesteros JA, Palczewski K | 10.1073/PNAS.0608022103 | 2006-10-17 | No | |
OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | X-ray | 2I35 | - | 3.8 | A | Intermediate | 39 | 95 | - | - | - | - | - | - |
Retinal (11-cis)
pubchem
|
small molecule | Inverse agonist | Retinal | small molecule | No | No | Salom D, Lodowski DT, Stenkamp RE, Trong IL, Golczak M, Jastrzebska B, Harris T, Ballesteros JA, Palczewski K | 10.1073/PNAS.0608022103 | 2006-10-17 | No | |
OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | X-ray | 2I37 | - | 4.2 | A | Intermediate | 39 | 91 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | Retinal | small molecule | No | No | Salom D, Lodowski DT, Stenkamp RE, Trong IL, Golczak M, Jastrzebska B, Harris T, Ballesteros JA, Palczewski K | 10.1073/PNAS.0608022103 | 2006-10-17 | No | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | cryo-EM | 6GDG | 6GDG_refined | 4.1 | A | Active | 100 | 64 | Gs | αs | - | 57 | TrxA | Nanobody |
NECA
pubchem
|
small molecule | Agonist | adenosine | small molecule | Yes | No | García-Nafría J, Lee Y, Bai X, Carpenter B, Tate CG | 10.7554/ELIFE.35946 | 2018-05-16 | Yes | |
SMO | SMO | Frizzled | F (Frizzled) | Human | X-ray | 4QIN | 4QIN_refined | 2.6 | A | Inactive | 15 | 43 | - | - | - | - | BRIL | - |
SAG1.5
pubchem
|
small molecule | Agonist | constitutive | constitutive | No | No | Wang C, Wu H, Evron T, Vardy E, Han GW, Huang X, Hufeisen SJ, Mangano TJ, Urban DJ, Katritch V, Cherezov V, Caron MG, Roth BL, Stevens RC | 10.1038/NCOMMS5355 | 2014-07-23 | Yes | |
SMO | SMO | Frizzled | F (Frizzled) | Human | X-ray | 4QIM | 4QIM_refined | 2.6 | A | Inactive | 10 | 45 | - | - | - | - | BRIL | - |
AntaXV
pubchem
|
small molecule | Antagonist | constitutive | constitutive | No | No | Wang C, Wu H, Evron T, Vardy E, Han GW, Huang X, Hufeisen SJ, Mangano TJ, Urban DJ, Katritch V, Cherezov V, Caron MG, Roth BL, Stevens RC | 10.1038/NCOMMS5355 | 2014-07-23 | Yes | |
SMO | SMO | Frizzled | F (Frizzled) | Human | X-ray | 4N4W | 4N4W_refined | 2.8 | A | Inactive | 0 | 44 | - | - | - | - | BRIL | - |
Sant-1
pubchem
|
small molecule | Antagonist | constitutive | constitutive | No | No | Wang C, Wu H, Evron T, Vardy E, Han GW, Huang X, Hufeisen SJ, Mangano TJ, Urban DJ, Katritch V, Cherezov V, Caron MG, Roth BL, Stevens RC | 10.1038/NCOMMS5355 | 2014-01-22 | Yes | |
ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Wild turkey | cryo-EM | 6TKO | 6TKO_refined | 3.3 | A | Active | 100 | 58 | Beta | Beta-arrestin-1 | - | 78 | - | Fab30 heavy chain Fab30 light chain |
Formoterol
pubchem
chembl_ligand
|
small molecule | Agonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline | small molecule | Yes | No | Lee Y, Warne T, Nehmé R, Pandey S, Dwivedi-Agnihotri H, Chaturvedi M, Edwards PC, García-Nafría J, Leslie AGW, Shukla AK, Tate CG | 10.1038/S41586-020-2419-1 | 2020-06-17 | Yes | |
ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | X-ray | 6PS6 | 6PS6_refined | 2.7 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Timolol
pubchem
|
small molecule | Antagonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline, Zn2+ | small molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | X-ray | 6PS5 | 6PS5_refined | 2.9 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
(S)-Propranolol
pubchem
|
small molecule | Antagonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline, Zn2+ | small molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | X-ray | 6PS3 | 6PS3_refined | 2.5 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
(S)-Carvedilol
pubchem
|
small molecule | Antagonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline, Zn2+ | small molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
MTR1A | MT1 | Melatonin | A (Rhodopsin) | Human | X-ray | 6PS8 | 6PS8_refined | 3.3 | A | Inactive | 1 | 83 | - | - | - | - | GIgA glycogen synthase | - |
2-Phenylmelatonin
pubchem
|
small molecule | Antagonist | melatonin | small molecule | No | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 6PS7 | 6PS7_refined | 1.9 | A | Inactive | 0 | 72 | - | - | - | - | BRIL | - |
ZM241385
pubchem
|
small molecule | Antagonist | adenosine | small molecule | Yes | Yes | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | X-ray | 6PS1 | 6PS1_refined | 3.2 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Timolol
pubchem
|
small molecule | Antagonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline, Zn2+ | small molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | X-ray | 6PS0 | 6PS0_refined | 3.4 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Carazolol
pubchem
|
small molecule | Antagonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline, Zn2+ | small molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | X-ray | 6PS2 | 6PS2_refined | 2.4 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
(S)-Alprenolol
pubchem
|
small molecule | Antagonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline, Zn2+ | small molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | X-ray | 6PS4 | 6PS4_refined | 2.6 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
ICI-118551
pubchem
|
small molecule | Antagonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline, Zn2+ | small molecule | Yes | No | Ishchenko A, Stauch B, Han GW, Batyuk A, Shiriaeva A, Li C, Zatsepin N, Weierstall U, Liu W, Nango E, Nakane T, Tanaka R, Tono K, Joti Y, Iwata S, Moraes I, Gati C, Cherezov V | 10.1107/S2052252519013137 | 2019-11-13 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 5K2B | 5K2B_refined | 2.5 | A | Inactive | 0 | 72 | - | - | - | - | BRIL | - |
ZM241385
pubchem
|
small molecule | Antagonist | adenosine | small molecule | Yes | Yes | Batyuk A, Galli L, Ishchenko A, Han GW, Gati C, Popov PA, Lee M, Stauch B, White TA, Barty A, Aquila A, Hunter MS, Liang M, Boutet S, Pu M, Liu Z, Nelson G, James D, Li C, Zhao Y, Spence JCH, Liu W, Fromme P, Katritch V, Weierstall U, Stevens RC, Cherezov V | 10.1126/SCIADV.1600292 | 2016-09-21 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 5K2D | 5K2D_refined | 1.9 | A | Inactive | 0 | 72 | - | - | - | - | BRIL | - |
ZM241385
pubchem
|
small molecule | Antagonist | adenosine | small molecule | Yes | Yes | Batyuk A, Galli L, Ishchenko A, Han GW, Gati C, Popov PA, Lee M, Stauch B, White TA, Barty A, Aquila A, Hunter MS, Liang M, Boutet S, Pu M, Liu Z, Nelson G, James D, Li C, Zhao Y, Spence JCH, Liu W, Fromme P, Katritch V, Weierstall U, Stevens RC, Cherezov V | 10.1126/SCIADV.1600292 | 2016-09-21 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 5K2C | 5K2C_refined | 1.9 | A | Inactive | 0 | 72 | - | - | - | - | BRIL | - |
ZM241385
pubchem
|
small molecule | Antagonist | adenosine | small molecule | Yes | Yes | Batyuk A, Galli L, Ishchenko A, Han GW, Gati C, Popov PA, Lee M, Stauch B, White TA, Barty A, Aquila A, Hunter MS, Liang M, Boutet S, Pu M, Liu Z, Nelson G, James D, Li C, Zhao Y, Spence JCH, Liu W, Fromme P, Katritch V, Weierstall U, Stevens RC, Cherezov V | 10.1126/SCIADV.1600292 | 2016-09-21 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 5K2A | 5K2A_refined | 2.5 | A | Inactive | 0 | 72 | - | - | - | - | BRIL | - |
ZM241385
pubchem
|
small molecule | Antagonist | adenosine | small molecule | Yes | Yes | Batyuk A, Galli L, Ishchenko A, Han GW, Gati C, Popov PA, Lee M, Stauch B, White TA, Barty A, Aquila A, Hunter MS, Liang M, Boutet S, Pu M, Liu Z, Nelson G, James D, Li C, Zhao Y, Spence JCH, Liu W, Fromme P, Katritch V, Weierstall U, Stevens RC, Cherezov V | 10.1126/SCIADV.1600292 | 2016-09-21 | Yes | |
ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Wild turkey | X-ray | 3ZPR | 3ZPR_refined | 2.7 | B | Inactive | 0 | 61 | - | - | - | - | - | - |
4-Methyl-2-piperazin-1-yl-quinoline
pubchem
|
small molecule | Antagonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline | small molecule | Yes | Yes | Christopher JA, Brown J, Doré AS, Errey JC, Koglin M, Marshall FH, Myszka DG, Rich RL, Tate CG, Tehan B, Warne T, Congreve M | 10.1021/JM400140Q | 2013-04-03 | Yes | |
ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Wild turkey | X-ray | 3ZPQ | 3ZPQ_refined | 2.8 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
4-(1-Piperazinyl)-1H-indole
pubchem
|
small molecule | Antagonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline | small molecule | Yes | Yes | Christopher JA, Brown J, Doré AS, Errey JC, Koglin M, Marshall FH, Myszka DG, Rich RL, Tate CG, Tehan B, Warne T, Congreve M | 10.1021/JM400140Q | 2013-04-03 | Yes | |
DRD2 | D2 | Dopamine | A (Rhodopsin) | Human | X-ray | 6LUQ | 6LUQ_refined | 3.1 | A | Inactive | 0 | 59 | - | - | - | - | T4-Lysozyme | - |
Haloperidol
pubchem
chembl_ligand
|
small molecule | Antagonist | dopamine | small molecule | Yes | No | Fan L, Tan L, Chen Z, Qi J, Nie F, Luo Z, Cheng J, Wang S | 10.1038/S41467-020-14884-Y | 2020-03-04 | Yes | |
OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | X-ray | 2X72 | 2X72_refined | 3.0 | A | Active | 97 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Retinal (11-cis)
pubchem
|
small molecule | Agonist | Retinal | small molecule | No | No | Standfuss J, Edwards PC, D’Antona A, Fransen M, Xie G, Oprian DD, Schertler GFX | 10.1038/NATURE09795 | 2011-03-16 | Yes | |
OX1R | OX1 | Orexin | A (Rhodopsin) | Human | X-ray | 4ZJ8 | 4ZJ8_refined | 2.8 | A | Inactive | 1 | 72 | - | - | - | - | GIgA glycogen synthase | - |
Suvorexant
pubchem
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Yin J, Babaoglu K, Brautigam CA, Clark L, Shao Z, Scheuermann TH, Harrell CM, Gotter AL, Roecker AJ, Winrow CJ, Renger JJ, Coleman PJ, Rosenbaum DM | 10.1038/NSMB.3183 | 2016-03-09 | Yes | |
OX1R | OX1 | Orexin | A (Rhodopsin) | Human | X-ray | 4ZJC | 4ZJC_refined | 2.8 | A | Inactive | 1 | 72 | - | - | - | - | GIgA glycogen synthase | - |
SB-674042
pubchem
|
small molecule | Antagonist | orexin-A, orexin-B | peptide | No | No | Yin J, Babaoglu K, Brautigam CA, Clark L, Shao Z, Scheuermann TH, Harrell CM, Gotter AL, Roecker AJ, Winrow CJ, Renger JJ, Coleman PJ, Rosenbaum DM | 10.1038/NSMB.3183 | 2016-03-09 | Yes | |
B1B1U5 | Rhodopsin | Opsins | A (Rhodopsin) | Hasarius adansoni | X-ray | 6I9K | 6I9K_refined | 2.2 | A | Inactive | 24 | 83 | - | - | - | - | - | - |
Retinal (11-cis)
pubchem
|
small molecule | Inverse agonist | Retinal | small molecule | Yes | No | Varma N, Mutt E, Mühle J, Panneels V, Terakita A, Deupi X, Nogly P, Schertler GFX, Lesca E | 10.1073/PNAS.1902192116 | 2019-07-03 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 (Secretin) | Human | cryo-EM | 6B3J | 6B3J_refined | 3.3 | R | Active | 100 | 82 | Gs | αs | - | 49 | - | - |
Exendin-P5
|
peptide | Agonist | glucagon, glucagon-like peptide 1-(7-36) amide, glucagon-like peptide 1-(7-37) | peptide | No | No | Liang Y, Khoshouei M, Glukhova A, Furness SGB, Zhao P, Clydesdale L, Koole C, Truong TT, Thal DM, Lei S, Radjainia M, Danev R, Baumeister W, Wang M, Miller LJ, Christopoulos A, Sexton PM, Wootten D | 10.1038/NATURE25773 | 2018-02-21 | Yes | |
GPBAR | GPBA | Bile acid | A (Rhodopsin) | Human | cryo-EM | 7BW0 | 7BW0_refined | 3.9 | R | Active | 100 | 85 | Gs | αs | - | 56 | BRIL | Nanobody-35 | - | - | - | chenodeoxycholic acid, cholic acid, deoxycholic acid, lithocholic acid | small molecule | No | No | Chen G, Wang X, Ge Y, Ma L, Chen Q, Liu H, Du Y, Ye RD, Hu H, Ren R | 10.1038/S41392-020-00262-Z | 2020-09-02 | Yes | |
ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | X-ray | 3NYA | 3NYA_refined | 3.2 | A | Inactive | 0 | 67 | - | - | - | - | T4-Lysozyme | - |
(S)-Alprenolol
pubchem
|
small molecule | Antagonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline, Zn2+ | small molecule | Yes | No | Wacker D, Fenalti G, Brown MA, Katritch V, Abagyan R, Cherezov V, Stevens RC | 10.1021/JA105108Q | 2010-08-11 | Yes | |
ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | X-ray | 3NY8 | 3NY8_refined | 2.8 | A | Inactive | 0 | 67 | - | - | - | - | T4-Lysozyme | - |
ICI-118551
pubchem
|
small molecule | Inverse agonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline, Zn2+ | small molecule | Yes | No | Wacker D, Fenalti G, Brown MA, Katritch V, Abagyan R, Cherezov V, Stevens RC | 10.1021/JA105108Q | 2010-08-11 | Yes | |
ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | X-ray | 3NY9 | 3NY9_refined | 2.8 | A | Inactive | 0 | 67 | - | - | - | - | T4-Lysozyme | - |
Q27461782
pubchem
|
small molecule | Inverse agonist | (-)-adrenaline, (-)-noradrenaline, noradrenaline, Zn2+ | small molecule | Yes | No | Wacker D, Fenalti G, Brown MA, Katritch V, Abagyan R, Cherezov V, Stevens RC | 10.1021/JA105108Q | 2010-08-11 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 5OLG | 5OLG_refined | 1.9 | A | Inactive | 0 | 71 | - | - | - | - | BRIL | - |
ZM241385
pubchem
|
small molecule | Antagonist | adenosine | small molecule | Yes | Yes | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Doré AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 5OLZ | 5OLZ_refined | 1.9 | A | Inactive | 0 | 71 | - | - | - | - | BRIL | - |
4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol
pubchem
|
small molecule | Antagonist | adenosine | small molecule | Yes | Yes | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Doré AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 5OLV | 5OLV_refined | 2.0 | A | Inactive | 0 | 71 | - | - | - | - | BRIL | - |
CHEMBL1671936
pubchem
chembl_ligand
|
small molecule | Antagonist | adenosine | small molecule | Yes | Yes | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Doré AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 5OM1 | 5OM1_refined | 2.1 | A | Inactive | 0 | 71 | - | - | - | - | BRIL | - |
4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol
pubchem
|
small molecule | Antagonist | adenosine | small molecule | Yes | Yes | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Doré AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 5OLO | 5OLO_refined | 3.1 | A | Inactive | 0 | 71 | - | - | - | - | BRIL | - |
Tozadenant
pubchem
chembl_ligand
|
small molecule | Antagonist | adenosine | small molecule | Yes | No | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Doré AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | X-ray | 5OLH | 5OLH_refined | 2.6 | A | Inactive | 0 | 71 | - | - | - | - | BRIL | - |
Vipadenant
pubchem
|
small molecule | Antagonist | adenosine | small molecule | Yes | Yes | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Doré AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | X-ray | 3C9M | 3C9M_refined | 3.4 | A | Intermediate | 39 | 94 | - | - |