Structure Browser
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| PDB | Refined structure | Resolution | Δ distance (Å) | PDB Date | |||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Q80KM9 | US28 | Unclassified | A (Rhodopsin) | strain AD169 | 5WB2 | 5WB2_refined | 3.5 | A | Active | 8.86 | - | - | - | Nanobody | - |
CX3CL1
|
Agonist |
peptide |
in meso/LCP | Yes | No | Garcia KC | 10.7554/ELIFE.35850 | 2018-06-13 | Yes | ||
| Q80KM9 | US28 | Unclassified | A (Rhodopsin) | strain AD169 | 5WB1 | 5WB1_refined | 3.5 | A | Active | 9.12 | - | - | - | Nanobody | - | N/A | N/A | N/A | in meso/LCP | Yes | No | Garcia KC | 10.7554/ELIFE.35850 | 2018-06-13 | Yes | ||
| EDNRB | ETB | Endothelin | A (Rhodopsin) | Human | 5XPR | 5XPR_refined | 3.6 | A | Inactive | 0.09 | - | - | - | - | - | N/A | N/A | N/A | in meso/LCP | Yes | No | Nureki O | 10.1038/NSMB.3450 | 2017-08-16 | Yes | ||
| EDNRB | ETB | Endothelin | A (Rhodopsin) | Human | 5X93 | 5X93_refined | 2.2 | A | Inactive | -0.68 | - | - | Endolysin | - | - |
K-8794
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Nureki O | 10.1038/NSMB.3450 | 2017-08-16 | Yes | ||
| GLP1R | GLP-1 | Glucagon | B1 (Secretin) | Human | 5NX2 | 5NX2_refined | 3.7 | A | Intermediate | 4.86 | - | - | - | - | - |
truncated protein ag...
|
Agonist |
peptide |
vapour diffusion | No | No | Marshall FH | 10.1038/NATURE22800 | 2017-06-14 | Yes | ||
| ACM4 | M4 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | 5DSG | 5DSG_refined | 2.6 | B | Inactive | 0.28 | - | - | T4-Lysozyme | - |
acetylcholine |
small molecule |
Tiotropium
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Christopoulos A | 10.1038/NATURE17188 | 2016-03-16 | Yes | |
| ACM1 | M1 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | 5CXV | 5CXV_refined | 2.7 | A | Inactive | 0.64 | - | - | Endolysin | - |
acetylcholine |
small molecule |
CHEMBL258622
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Christopoulos A | 10.1038/NATURE17188 | 2016-03-09 | Yes | |
| OX2R | OX2 | Orexin | A (Rhodopsin) | Human | 5WS3 | 5WS3_refined | 2.3 | A | Inactive | -1.13 | - | - | Glycogen synthase | - | - |
EMPA
pubchem
chembl_ligand
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Kobayashi T | 10.1016/J.STR.2017.11.005 | 2017-12-13 | Yes | ||
| OX2R | OX2 | Orexin | A (Rhodopsin) | Human | 5WQC | - | 2.0 | A | Inactive | -0.99 | - | - | Glycogen synthase | - | - |
EMPA
pubchem
chembl_ligand
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Kobayashi T | 10.1016/J.STR.2017.11.005 | 2017-11-29 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5G53 | 5G53_refined | 3.4 | A | Active | 9.79 | Engineered G protein | - | - | - | - |
NECA
pubchem
|
Agonist |
small molecule |
vapour diffusion | Yes | No | Tate CG | 10.1038/NATURE18966 | 2016-08-03 | Yes | ||
| OPRD | δ | Opioid | A (Rhodopsin) | Human | 4N6H | 4N6H_refined | 1.8 | A | Inactive | -1.54 | - | - | BRIL | - |
β-endorphin dynorphin A dynorphin B endomorphin-1 [Leu]enkephalin [Met]enkephalin |
peptide |
Naltrindole
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Stevens RC | 10.1038/NATURE12944 | 2013-12-25 | Yes | |
| PE2R3 | EP3 | Prostanoid | A (Rhodopsin) | Human | 6M9T | 6M9T_refined | 2.5 | A | Intermediate | 7.11 | - | - | Endolysin chimera | - | - |
misoprostol-FA
pubchem
|
Antagonist |
small molecule |
N/A | Yes | No | Stevens RC | 10.1038/S41589-018-0160-Y | 2018-12-05 | Yes | ||
| NTR1 | NTS1 | Neurotensin | A (Rhodopsin) | Rat | 5T04 | 5T04_refined | 3.3 | A | Active | 8.26 | - | - | T4-Lysozyme | - |
neurotensin |
peptide |
CHEMBL342252
pubchem
|
Agonist |
peptide |
in meso/LCP | Yes | No | Grisshammer R | 10.1038/SREP38564 | 2016-12-21 | Yes | |
| PAR1 | PAR1 | Proteinase-activated | A (Rhodopsin) | Human | 3VW7 | 3VW7_refined | 2.2 | A | Intermediate | 6.18 | - | - | T4-Lysozyme | - |
thrombin |
peptide |
Vorapaxar
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Kobilka BK | 10.1038/NATURE11701 | 2012-12-12 | Yes | |
| P2RY1 | P2Y1 | P2Y | A (Rhodopsin) | Human | 4XNW | 4XNW_refined | 2.7 | A | Intermediate | 5.20 | - | - | Rubredoxin | - |
ADP |
small molecule |
MRS2500
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Wu B | 10.1038/NATURE14287 | 2015-04-01 | Yes | |
| P2RY1 | P2Y1 | P2Y | A (Rhodopsin) | Human | 4XNV | 4XNV_refined | 2.2 | A | Intermediate | 5.58 | - | - | Rubredoxin | - |
ADP |
small molecule |
BPTU
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Wu B | 10.1038/NATURE14287 | 2015-04-01 | Yes | |
| CALRL | calcitonin-like | Calcitonin | B1 (Secretin) | Human | 6E3Y | 6E3Y_refined | 3.3 | R | Active | 6.86 | Gs | - | RAMP1 | Nanobody 35 | - |
Calcitonin gene-rela...
pubchem
|
Agonist |
peptide |
N/A | No | No | Sexton PM | 10.1038/S41586-018-0535-Y | 2018-09-19 | Yes | ||
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 5JQH | 5JQH_refined | 3.2 | A | Inactive | -1.07 | - | - | T4-Lysozyme | Nanobody |
(-)-adrenaline (-)-noradrenaline |
small molecule |
Carazolol
pubchem
|
Inverse agonist |
small molecule |
in meso/LCP | Yes | No | Lefkowitz RJ | 10.1038/NATURE18636 | 2016-07-13 | Yes | |
| SMO | SMO | Frizzled | F (Frizzled) | Human | 5L7D | 5L7D_refined | 3.2 | B | Inactive | -1.98 | - | - | BRIL | - |
constitutive |
Constitutive | N/A | N/A | N/A | in meso/LCP | No | No | Siebold C | 10.1038/NATURE18934 | 2016-07-20 | Yes | |
| SMO | SMO | Frizzled | F (Frizzled) | Human | 5L7I | 5L7I_refined | 3.3 | B | Inactive | -2.33 | - | - | BRIL | - |
constitutive |
Constitutive |
Vismodegib
pubchem
|
Antagonist |
small molecule |
in meso/LCP | No | No | Siebold C | 10.1038/NATURE18934 | 2016-07-20 | Yes | |
| CNR1 | CB1 | Cannabinoid | A (Rhodopsin) | Human | 5TGZ | 5TGZ_refined | 2.8 | A | Inactive | -0.85 | - | - | Flavodoxin | - |
2-arachidonoylglycerol |
Endocannabinoid |
SCHEMBL662960
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Liu Z | 10.1016/J.CELL.2016.10.004 | 2016-11-02 | Yes | |
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 3SN6 | 3SN6_refined | 3.2 | R | Active | 9.96 | Gs | - | T4-Lysozyme | Antibody |
(-)-adrenaline (-)-noradrenaline |
small molecule |
BI-167107
pubchem
|
Agonist |
small molecule |
sponge mesophase | Yes | No | Kobilka BK | 10.1038/NATURE10361 | 2011-07-20 | Yes | |
| 5HT1B | 5-HT1B | 5-Hydroxytryptamine | A (Rhodopsin) | Human | 6G79 | - | 3.8 | S | Active | 8.90 | Go | - | - | - | - |
Donitriptan
pubchem
|
Agonist |
small molecule |
Cryo-EM | Yes | No | Tate CG | 10.1038/S41586-018-0241-9 | 2018-06-20 | Yes | ||
| 5HT2A | 5-HT2A | 5-Hydroxytryptamine | A (Rhodopsin) | Human | 6A93 | 6A93_refined | 3.0 | A | Inactive | -0.48 | - | - | Soluble cytochrome b562 | - | - |
Risperidone
pubchem
chembl_ligand
|
Antagonist |
small molecule |
N/A | No | No | Shimamura T | 10.1038/S41594-018-0180-Z | 2019-02-13 | Yes | ||
| 5HT2A | 5-HT2A | 5-Hydroxytryptamine | A (Rhodopsin) | Human | 6A94 | 6A94_refined | 2.9 | A | Inactive | -0.82 | - | - | Soluble cytochrome b562 | - | - |
Zotepine
pubchem
chembl_ligand
|
Antagonist |
small molecule |
N/A | No | No | Shimamura T | 10.1038/S41594-018-0180-Z | 2019-02-13 | Yes | ||
| Q9WTK1 | BLT1 | Leukotriene | A (Rhodopsin) | Guinea pig | 5X33 | - | 3.7 | A | Inactive | -1.53 | - | - | Endolysin | - | - |
BIIL-260
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Yokoyama S | 10.1038/NCHEMBIO.2547 | 2018-01-03 | Yes | ||
| GRM5 | mGlu5 | Metabotropic glutamate | C (Glutamate) | Human | 4OO9 | 4OO9_refined | 2.6 | A | Inactive | 3.98 | - | - | T4-Lysozyme | - |
L-glutamic acid |
small molecule |
Mavoglurant
pubchem
|
NAM |
small molecule |
in meso/LCP | No | No | Marshall FH | 10.1038/NATURE13396 | 2014-07-02 | Yes | |
| OPRM | μ | Opioid | A (Rhodopsin) | Mouse | 5C1M | 5C1M_refined | 2.1 | A | Active | 10.99 | - | - | - | Antibody |
β-endorphin dynorphin A dynorphin B endomorphin-1 [Leu]enkephalin [Met]enkephalin |
peptide |
BU72
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Kobilka BK | 10.1038/NATURE14886 | 2015-08-05 | Yes | |
| Q08BG4 | LPA6 | Lysophospholipid (LPA) | A (Rhodopsin) | Zebrafish | 5XSZ | 5XSZ_refined | 3.2 | A | Active | 9.96 | - | - | Endolysin | - | - | N/A | N/A | N/A | in meso/LCP | Yes | No | Nureki O | 10.1038/NATURE23448 | 2017-08-16 | Yes | ||
| ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | 4MQT | 4MQT_refined | 3.7 | A | Active | 8.74 | - | - | - | Nanobody |
acetylcholine |
small molecule |
LY2119620
pubchem
iperoxo pubchem |
PAM Agonist |
small molecule small molecule |
in meso/LCP | Yes | No | Kobilka BK | 10.1038/NATURE12735 | 2013-11-27 | Yes | |
| ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | 4MQS | 4MQS_refined | 3.5 | A | Active | 9.14 | - | - | - | Nanobody |
acetylcholine |
small molecule |
iperoxo
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Kobilka BK | 10.1038/NATURE12735 | 2013-11-27 | Yes | |
| 5HT2C | 5-HT2C | 5-Hydroxytryptamine | A (Rhodopsin) | Human | 6BQH | - | 2.7 | A | Inactive | 0.08 | - | - | Soluble cytochrome b562 | - | - |
Ritanserin
pubchem
|
Inverse agonist |
small molecule |
in meso/LCP | Yes | No | Liu Z | 10.1016/J.CELL.2018.01.001 | 2018-02-14 | Yes | ||
| 5HT2C | 5-HT2C | 5-Hydroxytryptamine | A (Rhodopsin) | Human | 6BQG | - | 3.0 | A | Active | 7.92 | - | - | Soluble cytochrome b562 | - | - |
Ergotamine
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Liu Z | 10.1016/J.CELL.2018.01.001 | 2018-02-14 | Yes | ||
| NK1R | NK1 | Tachykinin | A (Rhodopsin) | Human | 6HLO | 6HLO_refined | 2.4 | A | Inactive | 0.68 | - | - | GIgA glycogen synthase | - | - |
Aprepitant
pubchem
chembl_ligand
|
Antagonist |
small molecule |
N/A | Yes | No | Plückthun A | 10.1038/S41467-018-07939-8 | 2019-01-16 | Yes | ||
| NK1R | NK1 | Tachykinin | A (Rhodopsin) | Human | 6HLP | 6HLP_refined | 2.2 | A | Inactive | 0.80 | - | - | GIgA glycogen synthase | - | - |
Netupitant
pubchem
chembl_ligand
|
Antagonist |
small molecule |
N/A | Yes | No | Plückthun A | 10.1038/S41467-018-07939-8 | 2019-01-16 | Yes | ||
| NK1R | NK1 | Tachykinin | A (Rhodopsin) | Human | 6HLL | 6HLL_refined | 3.3 | A | Inactive | 1.05 | - | - | GIgA glycogen synthase | - | - |
CP-99,994
pubchem
chembl_ligand
|
Antagonist |
small molecule |
N/A | Yes | No | Plückthun A | 10.1038/S41467-018-07939-8 | 2019-01-16 | Yes | ||
| FFAR1 | FFA1 | Free fatty acid | A (Rhodopsin) | Human | 5TZY | 5TZY_refined | 3.2 | A | Intermediate | 3.21 | - | - | Endolysin | - |
long chain carboxylic acids |
Lipid |
(2s,3r)-3-Cyclopropy...
pubchem
UNII-11612L5SPI pubchem |
Agonist Agonist |
small molecule small molecule |
in meso/LCP | No | No | Soisson SM | 10.1038/NSMB.3417 | 2017-06-07 | Yes | |
| FFAR1 | FFA1 | Free fatty acid | A (Rhodopsin) | Human | 5TZR | 5TZR_refined | 2.2 | A | Intermediate | 3.69 | - | - | Endolysin | - |
long chain carboxylic acids |
Lipid |
UNII-11612L5SPI
pubchem
|
Agonist |
small molecule |
in meso/LCP | No | No | Soisson SM | 10.1038/NSMB.3417 | 2017-06-07 | Yes | |
| NPY1R | Y1 | Neuropeptide Y | A (Rhodopsin) | Human | 5ZBQ | 5ZBQ_refined | 2.7 | A | Inactive | -1.31 | - | - | T4-Lysozyme | - | - |
UR-MK299
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Wu B | 10.1038/S41586-018-0046-X | 2018-04-25 | Yes | ||
| NPY1R | Y1 | Neuropeptide Y | A (Rhodopsin) | Human | 5ZBH | 5ZBH_refined | 3.0 | A | Inactive | -0.68 | - | - | T4-Lysozyme | - | - |
BMS-193885
pubchem
|
Antagonist |
small molecule |
N/A | Yes | No | Wu B | 10.1038/S41586-018-0046-X | 2018-04-25 | Yes | ||
| DRD2 | D2 | Dopamine | A (Rhodopsin) | Human | 6CM4 | 6CM4_refined | 2.9 | A | Inactive | -1.80 | - | - | Endolysin | - | - |
Risperidone
pubchem
chembl_ligand
|
Inverse agonist |
small molecule |
in meso/LCP | Yes | No | Roth BL | 10.1038/NATURE25758 | 2018-03-14 | Yes | ||
| CNR2 | CB2 | Cannabinoid | A (Rhodopsin) | Human | 5ZTY | 5ZTY_refined | 2.8 | A | Inactive | -0.50 | - | - | Endolysin | - | - |
AM10257
pubchem
|
Antagonist |
small molecule |
N/A | Yes | No | Liu Z | 10.1016/J.CELL.2018.12.011 | 2019-01-30 | Yes | ||
| AGTR2 | AT2 | Angiotensin | A (Rhodopsin) | Human | 5UNG | 5UNG_refined | 2.8 | B | Active | 8.46 | - | - | BRIL | - | - |
CHEMBL289472
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Cherezov V | 10.1038/NATURE22035 | 2017-04-05 | Yes | ||
| AGTR2 | AT2 | Angiotensin | A (Rhodopsin) | Human | 5UNH | 5UNH_refined | 2.9 | B | Active | 9.17 | - | - | BRIL | - | - |
8EM
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Cherezov V | 10.1038/NATURE22035 | 2017-04-05 | Yes | ||
| AGTR2 | AT2 | Angiotensin | A (Rhodopsin) | Human | 5UNF | 5UNF_refined | 2.8 | A | Active | 8.94 | - | - | BRIL | - | - |
CHEMBL289472
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Cherezov V | 10.1038/NATURE22035 | 2017-04-05 | Yes | ||
| TA2R | TP | Prostanoid | A (Rhodopsin) | Human | 6IIV | 6IIV_refined | 3.0 | A | Inactive | 1.00 | - | - |
Soluble cytochrome b562 Rubredoxin |
- | - |
Daltroban
pubchem
chembl_ligand
|
Antagonist |
small molecule |
N/A | No | No | Wu B | 10.1038/S41589-018-0170-9 | 2018-12-19 | Yes | ||
| TA2R | TP | Prostanoid | A (Rhodopsin) | Human | 6IIU | 6IIU_refined | 2.5 | A | Inactive | 1.01 | - | - |
Soluble cytochrome b562 Rubredoxin |
- | - |
Ramatroban
pubchem
chembl_ligand
|
Antagonist |
small molecule |
N/A | No | No | Wu B | 10.1038/S41589-018-0170-9 | 2018-12-19 | Yes | ||
| OPRK | κ | Opioid | A (Rhodopsin) | Human | 4DJH | 4DJH_refined | 2.9 | A | Inactive | -1.29 | - | - | T4-Lysozyme | - |
dynorphin A |
peptide |
JDTic
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Stevens RC | 10.1038/NATURE10939 | 2012-03-21 | Yes | |
| PTAFR | PAF | Platelet-activating factor | A (Rhodopsin) | Human | 5ZKQ | - | 2.9 | B | Intermediate | 4.76 | - | - | Endolysin | - | - |
ABT-491
pubchem
chembl_ligand
|
Inverse agonist |
small molecule |
N/A | Yes | No | Wu B | 10.1038/S41594-018-0068-Y | 2018-06-20 | Yes | ||
| PTAFR | PAF | Platelet-activating factor | A (Rhodopsin) | Human | 5ZKP | 5ZKP_refined | 2.8 | A | Active | 15.31 | - | - | Flavodoxin | - | - |
Foropafant
pubchem
|
Antagonist |
small molecule |
N/A | Yes | No | Wu B | 10.1038/S41594-018-0068-Y | 2018-06-20 | Yes | ||
| HRH1 | H1 | Histamine | A (Rhodopsin) | Human | 3RZE | 3RZE_refined | 3.1 | A | Inactive | 0.45 | - | - | T4-Lysozyme | - |
histamine |
small molecule |
doxepin
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Iwata S | 10.1038/NATURE10236 | 2011-06-15 | Yes | |
| OPRX | NOP | Opioid | A (Rhodopsin) | Human | 5DHH | 5DHH_refined | 3.0 | A | Inactive | -1.11 | - | - | BRIL | - |
nociceptin/orphanin FQ |
peptide | N/A | N/A | N/A | in meso/LCP | Yes | No | Stevens RC | 10.1016/J.STR.2015.07.024 | 2015-10-21 | Yes | |
| OPRX | NOP | Opioid | A (Rhodopsin) | Human | 5DHG | 5DHG_refined | 3.0 | A | Inactive | -1.28 | - | - | BRIL | - |
nociceptin/orphanin FQ |
peptide | N/A | N/A | N/A | in meso/LCP | Yes | No | Stevens RC | 10.1016/J.STR.2015.07.024 | 2015-10-21 | Yes | |
| ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | 5ZKC | 5ZKC_refined | 2.3 | A | Inactive | 0.83 | - | - | Apo-cytochrome b562 | - |
acetylcholine |
small molecule |
N-methyl scopolamine
pubchem
|
Antagonist |
small molecule |
N/A | No | No | Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
| ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | 5YC8 | 5YC8_refined | 2.5 | A | Inactive | 1.05 | - | - | Redesigned apo-cytochrome b562 | - |
acetylcholine |
small molecule |
N-methyl scopolamine
pubchem
|
Antagonist |
small molecule |
N/A | No | No | Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
| ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | 5ZKB | - | 3.0 | A | Inactive | 0.97 | - | - | Apo-cytochrome b562 | - |
acetylcholine |
small molecule |
AF-DX 384
pubchem
|
Antagonist |
small molecule |
N/A | No | No | Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
| ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | 5ZK8 | 5ZK8_refined | 3.0 | A | Inactive | 1.00 | - | - | Redesigned apo-cytochrome b562 | - |
acetylcholine |
small molecule |
N-methyl scopolamine
pubchem
|
Antagonist |
small molecule |
N/A | Yes | No | Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
| ACM2 | M2 | Acetylcholine (muscarinic) | A (Rhodopsin) | Human | 5ZK3 | 5ZK3_refined | 2.6 | A | Inactive | 0.58 | - | - | Apo-cytochrome b562 | - |
acetylcholine |
small molecule |
Quinuclidinyl benzil...
pubchem
|
Antagonist |
small molecule |
N/A | No | No | Kobayashi T | 10.1038/S41589-018-0152-Y | 2018-11-21 | Yes | |
| 5HT2B | 5-HT2B | 5-Hydroxytryptamine | A (Rhodopsin) | Human | 5TUD | 5TUD_refined | 3.0 | D | Active | 8.66 | - | - | BRIL | Antibody |
5-hydroxytryptamine |
small molecule |
Ergotamine
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Cherezov V | 10.1073/PNAS.1700891114 | 2017-07-26 | Yes | |
| PAR2 | PAR2 | Proteinase-activated | A (Rhodopsin) | Human | 5NDZ | 5NDZ_refined | 3.6 | A | Intermediate | 6.87 | - | - |
T4-Lysozyme BRIL |
- | - |
AZ3451
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Dekker N | 10.1038/NATURE22309 | 2017-05-03 | Yes | ||
| PAR2 | PAR2 | Proteinase-activated | A (Rhodopsin) | Human | 5NDD | 5NDD_refined | 2.8 | A | Intermediate | 7.07 | - | - |
T4-Lysozyme BRIL |
- | - |
GTPL9585
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Dekker N | 10.1038/NATURE22309 | 2017-05-03 | Yes | ||
| PAR2 | PAR2 | Proteinase-activated | A (Rhodopsin) | Human | 5NJ6 | - | 4.0 | A | Intermediate | 7.10 | - | - |
BRIL Fab3949 |
- | - | N/A | N/A | N/A | in meso/LCP | Yes | No | Dekker N | 10.1038/NATURE22309 | 2017-05-03 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 4UG2 | - | 2.6 | A,B | Intermediate | 5.86 | - | - | - | - | - |
Cgs 21680
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Tate CG | 10.1124/MOL.114.097360 | 2015-04-08 | No | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 4UHR | 4UHR_refined | 2.6 | A | Intermediate | 6.28 | - | - | - | - | - |
Cgs 21680
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Tate CG | 10.1124/MOL.114.097360 | 2015-04-08 | Yes | ||
| CCR2 | CCR2 | Chemokine | A (Rhodopsin) | Human | 5T1A | - | 2.8 | A | Inactive | 1.66 | - | - | T4-Lysozyme | - | - |
CCR2-RA-[R]
pubchem
CHEMBL3577945 pubchem |
Antagonist Antagonist |
small molecule small molecule |
in meso/LCP | No | No | Handel TM | 10.1038/NATURE20605 | 2016-12-14 | Yes | ||
| ACM3 | M3 | Acetylcholine (muscarinic) | A (Rhodopsin) | Rat | 4U14 | - | 3.6 | A | Inactive | 0.52 | - | - | T4-Lysozyme | - |
acetylcholine |
small molecule |
Tiotropium
pubchem
|
Antagonist |
small molecule |
sponge mesophase | Yes | No | Kobilka BK | 10.1016/J.STR.2014.08.022 | 2014-11-26 | No | |
| ACM3 | M3 | Acetylcholine (muscarinic) | A (Rhodopsin) | Rat | 4U15 | 4U15_refined | 2.8 | B | Inactive | 0.50 | - | - | T4-Lysozyme | - |
acetylcholine |
small molecule |
Tiotropium
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Kobilka BK | 10.1016/J.STR.2014.08.022 | 2014-11-26 | Yes | |
| ACM3 | M3 | Acetylcholine (muscarinic) | A (Rhodopsin) | Rat | 4U16 | 4U16_refined | 3.7 | B | Inactive | 0.20 | - | - | T4-Lysozyme | - |
acetylcholine |
small molecule |
methscopolamine
pubchem
|
Antagonist |
small molecule |
sponge mesophase | Yes | No | Kobilka BK | 10.1016/J.STR.2014.08.022 | 2014-11-26 | Yes | |
| OPRK | κ | Opioid | A (Rhodopsin) | Human | 6B73 | 6B73_refined | 3.1 | A | Active | 9.71 | - | - | Soluble cytochrome b562 | Nanobody |
dynorphin A |
peptide |
MP1104
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Roth BL | 10.1016/J.CELL.2017.12.011 | 2018-01-17 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Japanese flying squid | 2Z73 | 2Z73_refined | 2.5 | A | Inactive | -0.27 | - | - | - | - |
retinal |
small molecule |
retinal
gtoplig
|
Inverse agonist |
small molecule |
vapour diffusion | Yes | No | Kouyama T | 10.1038/NATURE06925 | 2008-05-13 | Yes | |
| Q98SW5 | SMO | Frizzled | F (Frizzled) | African clawed frog | 6D32 | 6D32_refined | 3.8 | A | Inactive | -2.20 | - | - | Cytochrome b562 | - |
constitutive |
Constitutive |
Cyclopamine
pubchem
|
Antagonist |
small molecule |
in meso/LCP | No | No | Salic A | 10.1016/J.CELL.2018.04.029 | 2018-05-23 | Yes | |
| Q98SW5 | SMO | Frizzled | F (Frizzled) | African clawed frog | 6D35 | 6D35_refined | 3.9 | A | Inactive | -2.20 | - | - | Cytochrome b562 | - |
constitutive |
Constitutive | N/A | N/A | N/A | in meso/LCP | No | No | Salic A | 10.1016/J.CELL.2018.04.029 | 2018-05-23 | Yes | |
| PE2R3 | EP3 | Prostanoid | A (Rhodopsin) | Human | 6AK3 | 6AK3_refined | 2.9 | B | Active | 7.57 | - | - | Soluble cytochrome b562 | - | - |
Prostaglandin E2
pubchem
chembl_ligand
|
Agonist |
small molecule |
N/A | Yes | No | Kobayashi T | 10.1038/S41589-018-0171-8 | 2018-12-05 | Yes | ||
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 5EN0 | 5EN0_refined | 2.8 | A | Active | 8.40 | Gt-alpha3 | - | - | - |
retinal |
small molecule |
retinal
gtoplig
|
Inverse agonist |
small molecule |
vapour diffusion | No | No | Standfuss J | 10.15252/EMBR.201642671 | 2016-08-10 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 5DYS | 5DYS_refined | 2.3 | A | Active | 7.70 | - | - | - | - |
retinal |
small molecule |
retinal
gtoplig
|
Inverse agonist |
small molecule |
vapour diffusion | No | No | Standfuss J | 10.15252/EMBR.201642671 | 2016-08-10 | Yes | |
| GLP1R | GLP-1 | Glucagon | B1 (Secretin) | Human | 5VEX | 5VEX_refined | 3.0 | B | Inactive | -5.05 | - | - | Endolysin | - | - |
4-{[(4-Cyclohexylphe...
pubchem
|
Antagonist |
small molecule |
in meso/LCP | No | No | Stevens RC | 10.1038/NATURE22378 | 2017-05-17 | Yes | ||
| GLP1R | GLP-1 | Glucagon | B1 (Secretin) | Human | 5VEW | - | 2.7 | A | Inactive | -5.10 | - | - | Endolysin | - | - |
97Y
pubchem
|
Antagonist |
small molecule |
in meso/LCP | No | No | Stevens RC | 10.1038/NATURE22378 | 2017-05-24 | Yes | ||
| PE2R4 | EP4 | Prostanoid | A (Rhodopsin) | Human | 5YWY | 5YWY_refined | 3.2 | A | Inactive | -0.97 | - | - | Fab | - | - |
ONO-AE3-208
pubchem
|
Antagonist |
small molecule |
N/A | No | No | Kobayashi T | 10.1038/S41589-018-0131-3 | 2018-12-05 | Yes | ||
| PE2R4 | EP4 | Prostanoid | A (Rhodopsin) | Human | 5YHL | 5YHL_refined | 4.2 | A | Inactive | -0.94 | - | - | Fab | - | - |
ONO-AE3-208-Br
|
Antagonist |
small molecule |
N/A | No | No | Kobayashi T | 10.1038/S41589-018-0131-3 | 2018-12-05 | Yes | ||
| AA1R | A1 | Adenosine | A (Rhodopsin) | Human | 5UEN | 5UEN_refined | 3.2 | B | Inactive | -1.06 | - | - | BRIL | - | - |
CHEMBL144360
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Christopoulos A | 10.1016/J.CELL.2017.01.042 | 2017-03-01 | Yes | ||
| LPAR1 | LPA1 | Lysophospholipid (LPA) | A (Rhodopsin) | Human | 4Z34 | 4Z34_refined | 3.0 | A | Inactive | -1.30 | - | - | BRIL | - |
LPA |
Lipid |
ONO-9780307
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Hanson MA | 10.1016/J.CELL.2015.06.002 | 2015-06-03 | Yes | |
| LPAR1 | LPA1 | Lysophospholipid (LPA) | A (Rhodopsin) | Human | 4Z36 | 4Z36_refined | 2.9 | A | Inactive | -1.22 | - | - | BRIL | - |
LPA |
Lipid |
ONO-3080573
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Hanson MA | 10.1016/J.CELL.2015.06.002 | 2015-06-03 | Yes | |
| LPAR1 | LPA1 | Lysophospholipid (LPA) | A (Rhodopsin) | Human | 4Z35 | 4Z35_refined | 2.9 | A | Inactive | -1.30 | - | - | BRIL | - |
LPA |
Lipid |
ONO-9910539
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Hanson MA | 10.1016/J.CELL.2015.06.002 | 2015-06-03 | Yes | |
| CXCR4 | CXCR4 | Chemokine | A (Rhodopsin) | Human | 3ODU | 3ODU_refined | 2.5 | A | Inactive | -1.34 | - | - | T4-Lysozyme | - |
CXCL12α CXCL12β |
peptide |
IT1t
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | Yes | |
| CXCR4 | CXCR4 | Chemokine | A (Rhodopsin) | Human | 3OE9 | - | 3.1 | A | Inactive | -0.65 | - | - | T4-Lysozyme | - |
CXCL12α CXCL12β |
peptide |
IT1t
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | No | |
| CXCR4 | CXCR4 | Chemokine | A (Rhodopsin) | Human | 3OE8 | - | 3.1 | A | Inactive | -1.28 | - | - | T4-Lysozyme | - |
CXCL12α CXCL12β |
peptide |
IT1t
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | No | |
| CXCR4 | CXCR4 | Chemokine | A (Rhodopsin) | Human | 3OE6 | - | 3.2 | A | Inactive | -1.33 | - | - | T4-Lysozyme | - |
CXCL12α CXCL12β |
peptide |
IT1t
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | No | |
| CXCR4 | CXCR4 | Chemokine | A (Rhodopsin) | Human | 3OE0 | 3OE0_refined | 2.9 | A | Inactive | -1.45 | - | - | T4-Lysozyme | - |
CXCL12α CXCL12β |
peptide |
CVX15
|
Antagonist |
peptide |
in meso/LCP | Yes | No | Stevens RC | 10.1126/SCIENCE.1194396 | 2010-10-27 | Yes | |
| C5AR1 | C5a1 | Complement peptide | A (Rhodopsin) | Human | 5O9H | - | 2.7 | A | Inactive | -1.46 | - | - | - | - | - |
NDT 9513727
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Marshall FH | 10.1038/NATURE25025 | 2018-01-10 | Yes | ||
| CCR9 | CCR9 | Chemokine | A (Rhodopsin) | Human | 5LWE | - | 2.8 | B | Inactive | 0.09 | - | - | - | - | - |
Vercirnon
pubchem
|
Antagonist |
small molecule |
in meso/LCP | No | No | Marshall FH | 10.1038/NATURE20606 | 2016-12-07 | Yes | ||
| DRD3 | D3 | Dopamine | A (Rhodopsin) | Human | 3PBL | 3PBL_refined | 2.9 | A | Inactive | -0.43 | - | - | T4-Lysozyme | - |
dopamine |
small molecule |
Eticlopride
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Stevens RC | 10.1126/SCIENCE.1197410 | 2010-11-03 | Yes | |
| GLR | glucagon | Glucagon | B1 (Secretin) | Human | 5XF1 | 5XF1_refined | 3.2 | B | Inactive | -4.75 | - | - | T4-Lysozyme | Antibody | - |
4-{[(4-Cyclohexylphe...
pubchem
|
Antagonist |
small molecule |
in meso/LCP | No | No | Wu B | 10.1038/NATURE22363 | 2017-05-24 | Yes | ||
| GLR | glucagon | Glucagon | B1 (Secretin) | Human | 5XEZ | 5XEZ_refined | 3.0 | B | Inactive | -4.53 | - | - | T4-Lysozyme | Antibody | - |
4-{[(4-Cyclohexylphe...
pubchem
|
Antagonist |
small molecule |
in meso/LCP | No | No | Wu B | 10.1038/NATURE22363 | 2017-05-24 | Yes | ||
| APJ | apelin | Apelin | A (Rhodopsin) | Human | 5VBL | 5VBL_refined | 2.6 | B | Inactive | -0.37 | - | - | Rubredoxin | - |
apelin-13 apelin receptor early endogenous ligand |
peptide |
AMG3054
|
Agonist |
peptide |
in meso/LCP | Yes | No | Xu F | 10.1016/J.STR.2017.04.008 | 2017-05-31 | Yes | |
| DRD4 | D4 | Dopamine | A (Rhodopsin) | Human | 5WIV | 5WIV_refined | 2.1 | A | Inactive | -0.93 | - | - | BRIL | - | - |
Nemonapride
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Roth BL | 10.1126/SCIENCE.AAN5468 | 2017-10-18 | Yes | ||
| DRD4 | D4 | Dopamine | A (Rhodopsin) | Human | 5WIU | 5WIU_refined | 2.0 | A | Inactive | -0.97 | - | - | - | - | - |
Nemonapride
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Roth BL | 10.1126/SCIENCE.AAN5468 | 2017-10-18 | Yes | ||
| CNR1 | CB1 | Cannabinoid | A (Rhodopsin) | Human | 6N4B | 6N4B_refined | 3.0 | R | Active | 8.26 | Gi | - | scFv16 | - |
2-arachidonoylglycerol |
Endocannabinoid |
Fub-mdmb
pubchem
|
Agonist |
small molecule |
N/A | Yes | No | Skiniotis G | 10.1016/J.CELL.2018.11.040 | 2019-01-30 | Yes | |
| AA1R | A1 | Adenosine | A (Rhodopsin) | Human | 6D9H | 6D9H_refined | 3.6 | R | Active | 9.23 | Gi2 | - | - | - | - |
Adenosine
pubchem
|
Agonist |
small molecule |
Cryo-EM | Yes | No | Christopoulos A | 10.1038/S41586-018-0236-6 | 2018-06-20 | Yes | ||
| G1SGD4 | GLP-1 | Glucagon | B1 (Secretin) | Rabbit | 5VAI | 5VAI_refined | 4.1 | R | Active | 6.89 | Gs | - | - | - |
glucagon-like peptide 1 |
peptide |
GLP-1
pubchem
|
Agonist |
peptide |
Cryo-EM | No | No | Skiniotis G | 10.1038/NATURE22394 | 2017-05-24 | Yes | |
| GLP1R | GLP-1 | Glucagon | B1 (Secretin) | Human | 6B3J | 6B3J_refined | 3.3 | R | Active | 6.78 | Gs | - | - | - | - |
Exendin-P5
|
Agonist |
peptide |
Cryo-EM | No | No | Wootten D | 10.1038/NATURE25773 | 2018-02-21 | Yes | ||
| CRFR1 | CRF1 | Corticotropin-releasing factor | B1 (Secretin) | Human | 4Z9G | 4Z9G_refined | 3.2 | A | Inactive | -0.98 | - | - | T4-Lysozyme | - |
corticotrophin-releasing hormone |
peptide |
CP-376395
pubchem
|
Antagonist |
small molecule |
in meso/LCP | No | No | Marshall FH | 10.2174/1874467210666170110114727 | 2016-06-29 | Yes | |
| P2Y12 | P2Y12 | P2Y | A (Rhodopsin) | Human | 4NTJ | 4NTJ_refined | 2.6 | A | Intermediate | 4.74 | - | - | BRIL | - | - |
AZD1283
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Zhao Q | 10.1038/NATURE13083 | 2014-03-26 | Yes | ||
| OX1R | OX1 | Orexin | A (Rhodopsin) | Human | 4ZJC | 4ZJC_refined | 2.8 | A | Inactive | -0.54 | - | - | - | - |
noradrenaline |
small molecule |
SB-674042
pubchem
|
Antagonist |
small molecule |
in meso/LCP | No | No | Rosenbaum DM | 10.1038/NSMB.3183 | 2016-03-09 | Yes | |
| OX1R | OX1 | Orexin | A (Rhodopsin) | Human | 4ZJ8 | 4ZJ8_refined | 2.8 | A | Inactive | -0.47 | - | - | - | - |
noradrenaline |
small molecule |
Suvorexant
pubchem
|
Antagonist |
small molecule |
in meso/LCP | No | No | Rosenbaum DM | 10.1038/NSMB.3183 | 2016-03-09 | Yes | |
| PTH1R | PTH1 | Parathyroid hormone | B1 (Secretin) | Human | 6FJ3 | 6FJ3_refined | 2.5 | A | Inactive | -19.28 | - | - | GlgA glycogen synthase | - | - |
ePTH
|
Agonist |
peptide |
N/A | No | No | Plückthun A | 10.1038/S41594-018-0151-4 | 2018-11-21 | Yes | ||
| NTR1 | NTS1 | Neurotensin | A (Rhodopsin) | Rat | 4XEE | 4XEE_refined | 2.9 | A | Intermediate | 6.49 | - | - | T4-Lysozyme | - |
neurotensin |
peptide |
CHEMBL342252
pubchem
|
Agonist |
peptide |
in meso/LCP | Yes | No | Grisshammer R | 10.1038/NCOMMS8895 | 2015-07-29 | Yes | |
| NTR1 | NTS1 | Neurotensin | A (Rhodopsin) | Rat | 4XES | 4XES_refined | 2.6 | A | Intermediate | 6.03 | - | - | T4-Lysozyme | - |
neurotensin |
peptide |
CHEMBL342252
pubchem
|
Agonist |
peptide |
in meso/LCP | Yes | No | Grisshammer R | 10.1038/NCOMMS8895 | 2015-07-29 | Yes | |
| FZD4 | FZD4 | Frizzled | F (Frizzled) | Human | 6BD4 | 6BD4_refined | 2.4 | A | Inactive | -4.31 | - | - | Rubredoxin | - | - | N/A | N/A | N/A | N/A | No | No | Xu F | 10.1038/S41586-018-0447-X | 2018-08-22 | Yes | ||
| AGTR1 | AT1 | Angiotensin | A (Rhodopsin) | Human | 4ZUD | - | 2.8 | A | Inactive | -0.93 | - | - | BRIL | - | - |
OLM
|
Inverse agonist |
small molecule |
in meso/LCP | Yes | No | Stevens RC | 10.1074/JBC.M115.689000 | 2015-10-07 | Yes | ||
| NTR1 | NTS1 | Neurotensin | A (Rhodopsin) | Rat | 4BWB | - | 3.6 | A | Inactive | 1.53 | - | - | - | - |
neurotensin |
peptide |
CHEMBL342252
pubchem
|
Agonist |
peptide |
vapour diffusion | Yes | No | Plückthun A | 10.1073/PNAS.1317903111 | 2014-01-29 | No | |
| NTR1 | NTS1 | Neurotensin | A (Rhodopsin) | Rat | 4BUO | - | 2.8 | A | Inactive | 0.57 | - | - | - | - |
neurotensin |
peptide |
CHEMBL342252
pubchem
|
Agonist |
peptide |
vapour diffusion | Yes | No | Plückthun A | 10.1073/PNAS.1317903111 | 2014-01-29 | Yes | |
| NTR1 | NTS1 | Neurotensin | A (Rhodopsin) | Rat | 3ZEV | - | 3.0 | A | Inactive | 0.45 | - | - | - | - |
neurotensin |
peptide |
CHEMBL342252
pubchem
|
Agonist |
peptide |
vapour diffusion | Yes | No | Plückthun A | 10.1073/PNAS.1317903111 | 2014-01-29 | No | |
| NTR1 | NTS1 | Neurotensin | A (Rhodopsin) | Rat | 4BV0 | - | 3.1 | A | Inactive | 0.95 | - | - | - | - |
neurotensin |
peptide |
CHEMBL342252
pubchem
|
Agonist |
peptide |
vapour diffusion | Yes | No | Plückthun A | 10.1073/PNAS.1317903111 | 2014-01-29 | No | |
| OPRD | δ | Opioid | A (Rhodopsin) | Mouse | 4EJ4 | 4EJ4_refined | 3.4 | A | Inactive | -1.23 | - | - | T4-Lysozyme | - |
β-endorphin dynorphin A dynorphin B endomorphin-1 [Leu]enkephalin [Met]enkephalin |
peptide |
Naltrindole
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Kobilka BK | 10.1038/NATURE11111 | 2012-05-16 | Yes | |
| CCR5 | CCR5 | Chemokine | A (Rhodopsin) | Human | 5UIW | 5UIW_refined | 2.2 | A | Inactive | 1.02 | - | - | Rubredoxin | - |
CCL11 CCL14 CCL16 CCL2 CCL3 CCL4 CCL5 CCL7 CCL8 |
peptide |
5P7-CCL5
|
Antagonist |
peptide |
in meso/LCP | No | No | Handel TM | 10.1016/J.IMMUNI.2017.05.002 | 2017-06-28 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 1GZM | - | 2.7 | A | Inactive | 0.06 | - | - | - | - |
retinal |
small molecule |
retinal
gtoplig
|
Inverse agonist |
small molecule |
vapour diffusion | No | No | Schertler GF | 10.1016/J.JMB.2004.08.090 | 2003-11-20 | Yes | |
| US28 | US28 | Unclassified | A (Rhodopsin) | strain AD169 | 4XT3 | 4XT3_refined | 3.8 | A | Active | 8.85 | - | - | - | - |
CX3CL1 |
peptide |
Fractalkine
|
Agonist |
peptide |
in meso/LCP | Yes | No | Garcia KC | 10.1126/SCIENCE.AAA5026 | 2015-03-04 | Yes | |
| US28 | US28 | Unclassified | A (Rhodopsin) | strain AD169 | 4XT1 | 4XT1_refined | 2.9 | A | Active | 9.02 | - | - | - | Nanobody |
CX3CL1 |
peptide |
CX3CL1
|
Agonist |
peptide |
in meso/LCP | Yes | No | Garcia KC | 10.1126/SCIENCE.AAA5026 | 2015-03-04 | Yes | |
| S1PR1 | S1P1 | Lysophospholipid (S1P) | A (Rhodopsin) | Human | 3V2Y | 3V2Y_refined | 2.8 | A | Inactive | -0.61 | - | - | T4-Lysozyme | - |
sphingosine 1-phosphate |
Lipid |
W146
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Stevens RC | 10.1126/SCIENCE.1215904 | 2012-02-15 | Yes | |
| S1PR1 | S1P1 | Lysophospholipid (S1P) | A (Rhodopsin) | Human | 3V2W | - | 3.4 | A | Inactive | -1.48 | - | - | T4-Lysozyme | - |
sphingosine 1-phosphate |
Lipid |
W146
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Stevens RC | 10.1126/SCIENCE.1215904 | 2012-02-15 | No | |
| 5HT2B | 5-HT2B | 5-Hydroxytryptamine | A (Rhodopsin) | Human | 4IB4 | 4IB4_refined | 2.7 | A | Intermediate | 3.08 | - | - | BRIL | - |
5-hydroxytryptamine |
small molecule |
ERGOTAMINE
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | 10.1126/SCIENCE.1232808 | 2013-03-13 | Yes | ||
| GRM1 | mGlu1 | Metabotropic glutamate | C (Glutamate) | Human | 4OR2 | 4OR2_refined | 2.8 | A,B | Inactive | 4.00 | - | - | BRIL | - |
L-glutamic acid |
small molecule |
FITM
pubchem
|
NAM |
small molecule |
in meso/LCP | No | No | Stevens RC | 10.1126/SCIENCE.1249489 | 2014-03-19 | Yes | |
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 3VGA | - | 3.1 | A | Inactive | -1.40 | - | - | - | - | - |
ZM241385
pubchem
|
Antagonist |
small molecule |
vapour diffusion | Yes | No | Murata T | 10.1038/NATURE10750 | 2012-02-01 | No | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 3VG9 | 3VG9_refined | 2.7 | A | Inactive | -1.20 | - | - | - | - | - |
ZM241385
pubchem
|
Antagonist |
small molecule |
vapour diffusion | Yes | No | Murata T | 10.1038/NATURE10750 | 2012-02-01 | Yes | ||
| OPRM | μ | Opioid | A (Rhodopsin) | Mouse | 4DKL | 4DKL_refined | 2.8 | A | Inactive | -1.44 | - | - | T4-Lysozyme | - |
β-endorphin dynorphin A dynorphin B endomorphin-1 [Leu]enkephalin [Met]enkephalin |
peptide |
BF0
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Granier S | 10.1038/NATURE10954 | 2012-03-21 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Human | 4ZWJ | 4ZWJ_refined | 3.3 | A | Active | 8.61 | - | S-arrestin | T4-Lysozyme | - |
retinal |
small molecule | N/A | N/A | N/A | in meso/LCP | No | No | Xu HE | 10.1038/NATURE14656 | 2015-07-29 | Yes | |
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 6H7J | - | 2.8 | A | Active | 9.27 | - | - | Thioredoxin 1 | Camelid antibody fragment Nb80 | - |
ISOPRENALINE
pubchem
|
Agonist |
small molecule |
N/A | Yes | No | Tate CG | 10.1101/436212 | 2018-10-17 | Yes | ||
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 6H7O | 6H7O_refined | 2.8 | A | Active | 9.29 | - | - | Thioredoxin 1 | Camelid antibody fragment Nb6B9 | - |
4-{[(2S)-3-(tert-but...
pubchem
|
Agonist |
small molecule |
N/A | Yes | No | Tate CG | 10.1101/436212 | 2018-10-17 | Yes | ||
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 6H7N | 6H7N_refined | 2.5 | A | Active | 9.29 | - | - | Thioredoxin 1 | Camelid antibody fragment Nb6B9 | - |
Xamoterol
pubchem
|
Agonist |
small molecule |
N/A | Yes | No | Tate CG | 10.1101/436212 | 2018-10-17 | Yes | ||
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 6H7L | 6H7L_refined | 2.7 | A | Active | 9.24 | - | - | Thioredoxin 1 | Camelid antibody fragment Nb6B9 | - |
DOBUTAMINE
pubchem
|
Agonist |
small molecule |
N/A | Yes | No | Tate CG | 10.1101/436212 | 2018-10-17 | Yes | ||
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 6H7M | 6H7M_refined | 2.8 | A | Active | 9.30 | - | - | Thioredoxin 1 | Camelid antibody fragment Nb6B9 | - |
SALBUTAMOL
pubchem
|
Agonist |
small molecule |
N/A | Yes | No | Tate CG | 10.1101/436212 | 2018-10-17 | Yes | ||
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 4AMI | - | 3.2 | A | Inactive | -1.16 | - | - | - | - | - |
bucindolol
pubchem
|
Agonist |
small molecule |
vapour diffusion | Yes | No | Tate CG | 10.1016/J.STR.2012.03.014 | 2012-05-23 | Yes | ||
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 4AMJ | - | 2.3 | B | Inactive | -1.01 | - | - | - | - | - |
(S)-Carvedilol
pubchem
|
Inverse agonist |
small molecule |
vapour diffusion | Yes | No | Tate CG | 10.1016/J.STR.2012.03.014 | 2012-05-23 | Yes | ||
| 5HT1B | 5-HT1B | 5-Hydroxytryptamine | A (Rhodopsin) | Human | 4IAQ | 4IAQ_refined | 2.8 | A | Intermediate | 2.79 | - | - | BRIL | - | - |
dihydroergotamine
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | 10.1126/SCIENCE.1232807 | 2013-03-13 | Yes | |||
| 5HT1B | 5-HT1B | 5-Hydroxytryptamine | A (Rhodopsin) | Human | 4IAR | 4IAR_refined | 2.7 | A | Intermediate | 4.22 | - | - | BRIL | - | - |
ERGOTAMINE
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | 10.1126/SCIENCE.1232807 | 2013-03-13 | Yes | |||
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 2Y02 | - | 2.6 | B | Inactive | -1.15 | - | - | - | - | - |
Carmoterol
pubchem
|
Agonist |
small molecule |
vapour diffusion | Yes | No | Tate CG | 10.1038/NATURE09746 | 2011-01-12 | Yes | ||
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 2Y00 | 2Y00_refined | 2.5 | B | Inactive | -1.22 | - | - | - | - | - |
Dobutamine
pubchem
|
Agonist (partial) |
small molecule |
vapour diffusion | Yes | No | Tate CG | 10.1038/NATURE09746 | 2011-01-12 | Yes | ||
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 2Y03 | 2Y03_refined | 2.9 | B | Inactive | -1.20 | - | - | - | - | - |
LEVISOPRENALINE
pubchem
|
Agonist |
small molecule |
vapour diffusion | Yes | No | Tate CG | 10.1038/NATURE09746 | 2011-01-12 | Yes | ||
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 2Y01 | - | 2.6 | A | Inactive | -1.07 | - | - | - | - | - |
Dobutamine
pubchem
|
Agonist (partial) |
small molecule |
vapour diffusion | Yes | No | Tate CG | 10.1038/NATURE09746 | 2011-03-30 | No | ||
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 2Y04 | 2Y04_refined | 3.1 | B | Inactive | -1.14 | - | - | - | - | - |
Levalbuterol
pubchem
|
Agonist (partial) |
small molecule |
vapour diffusion | Yes | No | Tate CG | 10.1038/NATURE09746 | 2011-01-12 | Yes | ||
| EDNRB | ETB | Endothelin | A (Rhodopsin) | Human | 6IGK | 6IGK_refined | 2.0 | A | Intermediate | 2.18 | - | - | Endolysin | - | - |
Endothelin-3
pubchem
|
Agonist |
peptide |
N/A | Yes | No | Nureki O | 10.1038/S41467-018-07094-0 | 2018-11-21 | Yes | ||
| EDNRB | ETB | Endothelin | A (Rhodopsin) | Human | 6IGL | 6IGL_refined | 2.7 | A | Inactive | 0.16 | - | - | Endolysin | - | - |
IRL1620
pubchem
|
Partial agonist |
peptide |
N/A | Yes | No | Nureki O | 10.1038/S41467-018-07094-0 | 2018-11-21 | Yes | ||
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 3PDS | 3PDS_refined | 3.5 | A | Inactive | -0.96 | - | - | T4-Lysozyme | - |
(-)-adrenaline (-)-noradrenaline |
small molecule |
FAUC50
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Kobilka BK | 10.1038/NATURE09665 | 2011-01-12 | Yes | |
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 3NY8 | 3NY8_refined | 2.8 | A | Inactive | -1.26 | - | - | T4-Lysozyme | - |
(-)-adrenaline (-)-noradrenaline |
small molecule |
AC1NSK5N
pubchem
|
Inverse agonist |
small molecule |
in meso/LCP | Yes | No | Stevens RC | 10.1021/JA105108Q | 2010-08-11 | Yes | |
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 3NY9 | - | 2.8 | A | Inactive | -1.49 | - | - | T4-Lysozyme | - |
(-)-adrenaline (-)-noradrenaline |
small molecule |
CHEMBL1233771
pubchem
|
Inverse agonist |
small molecule |
in meso/LCP | Yes | No | Stevens RC | 10.1021/JA105108Q | 2010-08-11 | Yes | |
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 3NYA | - | 3.2 | A | Inactive | -1.28 | - | - | T4-Lysozyme | - |
(-)-adrenaline (-)-noradrenaline |
small molecule |
(-)-Alprenolol
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Stevens RC | 10.1021/JA105108Q | 2010-08-11 | Yes | |
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5IU4 | 5IU4_refined | 1.7 | A | Inactive | -0.76 | - | - | BRIL | - | - |
ZM241385
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Cooke RM | 10.1021/ACS.JMEDCHEM.6B00653 | 2016-06-29 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5IU7 | 5IU7_refined | 1.9 | A | Inactive | -0.68 | - | - | BRIL | - | - |
2-(Furan-2-Yl)-N~5~-...
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | Yes | Cooke RM | 10.1021/ACS.JMEDCHEM.6B00653 | 2016-06-29 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5IUB | 5IUB_refined | 2.1 | A | Inactive | -0.87 | - | - | BRIL | - | - |
CHEMBL184061
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | Yes | Cooke RM | 10.1021/ACS.JMEDCHEM.6B00653 | 2016-06-29 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5IUA | - | 2.2 | A | Inactive | -0.68 | - | - | BRIL | - | - |
2-(Furan-2-Yl)-N~5~-...
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | Yes | Cooke RM | 10.1021/ACS.JMEDCHEM.6B00653 | 2016-06-29 | Yes | ||
| CCR5 | CCR5 | Chemokine | A (Rhodopsin) | Human | 6AKY | 6AKY_refined | 2.8 | A | Inactive | 0.40 | - | - | Rubredoxin | - |
CCL11 CCL14 CCL16 CCL2 CCL3 CCL4 CCL5 CCL7 CCL8 |
peptide |
4,4-difluoro-N-[(1S)...
|
Antagonist |
small molecule |
N/A | No | No | Liu H | 10.1021/ACS.JMEDCHEM.8B01077 | 2018-10-24 | Yes | |
| CCR5 | CCR5 | Chemokine | A (Rhodopsin) | Human | 6AKX | 6AKX_refined | 2.8 | B | Inactive | 0.71 | - | - | Rubredoxin | - |
CCL11 CCL14 CCL16 CCL2 CCL3 CCL4 CCL5 CCL7 CCL8 |
peptide |
N-[(1S)-3-{(3-exo)-3...
|
Antagonist |
small molecule |
N/A | No | No | Liu H | 10.1021/ACS.JMEDCHEM.8B01077 | 2018-10-24 | Yes | |
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5OLV | 5OLV_refined | 2.0 | A | Inactive | -0.56 | - | - | Soluble cytochrome b562 | - | - |
CHEMBL1671936
pubchem
chembl_ligand
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Doré AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5OM1 | 5OM1_refined | 2.1 | A | Inactive | -0.69 | - | - | Soluble cytochrome b562 | - | - |
4-(3-amino-5-phenyl-...
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Doré AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5OLH | 5OLH_refined | 2.6 | A | Inactive | -0.70 | - | - | Soluble cytochrome b562 | - | - |
Vipadenant
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Doré AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5OLZ | 5OLZ_refined | 1.9 | A | Inactive | -0.75 | - | - | Soluble cytochrome b562 | - | - |
4-(3-amino-5-phenyl-...
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Doré AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5OM4 | - | 2.0 | A | Inactive | -0.66 | - | - | Soluble cytochrome b562 | - | - |
4-(3-amino-5-phenyl-...
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Doré AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5OLG | - | 1.9 | A | Inactive | -0.73 | - | - | Soluble cytochrome b562 | - | - |
ZM241385
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Doré AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5OLO | 5OLO_refined | 3.1 | A | Inactive | -0.69 | - | - | Soluble cytochrome b562 | - | - |
Tozadenant
pubchem
chembl_ligand
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Doré AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | ||
| CNR1 | CB1 | Cannabinoid | A (Rhodopsin) | Human | 5XR8 | 5XR8_refined | 3.0 | A | Active | 7.90 | - | - | Flavodoxin | - |
2-arachidonoylglycerol |
Endocannabinoid |
8D0
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Liu Z | 10.1038/NATURE23272 | 2017-07-12 | Yes | |
| CNR1 | CB1 | Cannabinoid | A (Rhodopsin) | Human | 5XRA | 5XRA_refined | 2.8 | A | Active | 7.95 | - | - | Flavodoxin | - |
2-arachidonoylglycerol |
Endocannabinoid |
CHEMBL1683648
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Liu Z | 10.1038/NATURE23272 | 2017-07-12 | Yes | |
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5VRA | 5VRA_refined | 2.4 | A | Inactive | -0.39 | - | - | Soluble cytochrome b562 | - | - |
ZM241385
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Ernst OP | 10.1038/NPROT.2017.135 | 2017-12-13 | Yes | ||
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 5WKT | 5WKT_refined | 3.2 | A | Active | 7.98 | Gt | - | - | - |
retinal |
small molecule | N/A | N/A | N/A | vapour diffusion | No | No | Ernst OP | 10.1038/NPROT.2017.135 | 2017-12-13 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 1HZX | - | 2.8 | A,B | Inactive | -0.02 | - | - | - | - |
retinal |
small molecule |
retinal
gtoplig
|
Inverse agonist |
small molecule |
vapour diffusion | No | No | Stenkamp RE | 10.1021/BI0155091 | 2001-07-04 | No | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 1L9H | - | 2.6 | A | Inactive | -0.45 | - | - | - | - |
retinal |
small molecule |
retinal
gtoplig
|
Inverse agonist |
small molecule |
vapour diffusion | No | No | Shichida Y | 10.1073/PNAS.082666399 | 2002-05-15 | No | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 2PED | - | 3.0 | A,B | Inactive | 0.24 | - | - | - | - |
retinal |
small molecule |
retinal
gtoplig
|
Inverse agonist |
small molecule |
vapour diffusion | No | No | Okada T | 10.1529/BIOPHYSJ.107.108225 | 2007-10-30 | No | |
| OPRD | δ | Opioid | A (Rhodopsin) | Human | 4RWA | - | 3.3 | A,B | Inactive | -1.20 | - | - | BRIL | - |
β-endorphin dynorphin A dynorphin B endomorphin-1 [Leu]enkephalin [Met]enkephalin |
peptide |
DIPP-NH2
|
Antagonist |
peptide-like |
in meso/LCP | Yes | No | Cherezov V | 10.1038/NSMB.2965 | 2015-01-14 | No | |
| OPRD | δ | Opioid | A (Rhodopsin) | Human | 4RWD | 4RWD_refined | 2.7 | A,B | Inactive | -0.83 | - | - | BRIL | - |
β-endorphin dynorphin A dynorphin B endomorphin-1 [Leu]enkephalin [Met]enkephalin |
peptide |
DIPP-NH2
|
Antagonist |
peptide-like |
in meso/LCP | Yes | Yes | Cherezov V | 10.1038/NSMB.2965 | 2015-01-14 | Yes | |
| CCR2 | CCR2 | Chemokine | A (Rhodopsin) | Human | 6GPX | 6GPX_refined | 2.7 | B | Inactive | 0.58 | - | - | Rubredoxin | - | - |
MK-0812
pubchem
|
Antagonist |
small molecule |
N/A | No | No | Schnapp G | 10.1016/J.STR.2018.10.027 | 2019-01-02 | Yes | ||
| CCR2 | CCR2 | Chemokine | A (Rhodopsin) | Human | 6GPS | 6GPS_refined | 3.3 | A | Inactive | 0.82 | - | - | Rubredoxin | - | - |
MK-0812
pubchem
|
Antagonist |
small molecule |
N/A | No | No | Schnapp G | 10.1016/J.STR.2018.10.027 | 2019-01-02 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5K2B | - | 2.5 | A | Inactive | -0.63 | - | - | BRIL | - | - |
ZM241385
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Cherezov V | 10.1126/SCIADV.1600292 | 2016-09-21 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5K2A | 5K2A_refined | 2.5 | A | Inactive | -0.71 | - | - | BRIL | - | - |
ZM241385
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Cherezov V | 10.1126/SCIADV.1600292 | 2016-09-21 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5K2C | 5K2C_refined | 1.9 | A | Inactive | -0.67 | - | - | BRIL | - | - |
ZM241385
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Cherezov V | 10.1126/SCIADV.1600292 | 2016-09-21 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5K2D | 5K2D_refined | 1.9 | A | Inactive | -0.71 | - | - | BRIL | - | - |
ZM241385
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Cherezov V | 10.1126/SCIADV.1600292 | 2016-09-21 | Yes | ||
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 2RH1 | 2RH1_refined | 2.4 | A | Inactive | -0.82 | - | - | T4-Lysozyme | - |
(-)-adrenaline (-)-noradrenaline |
small molecule |
Carazolol
pubchem
|
Inverse agonist |
small molecule |
in meso/LCP | Yes | No | Stevens RC | 10.1126/SCIENCE.1150577 | 2007-10-30 | Yes | |
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 6MXT | 6MXT_refined | 3.0 | A | Active | 8.22 | - | - | Endolysin | Nanobody 71 |
(-)-adrenaline (-)-noradrenaline |
small molecule |
Salmeterol
pubchem
|
Agonist |
small molecule |
N/A | Yes | No | Kobilka BK | 10.1038/S41589-018-0145-X | 2018-11-14 | Yes | |
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 3UZC | - | 3.3 | A | Inactive | -0.50 | - | - | - | - | - |
T4E
|
Antagonist |
small molecule |
vapour diffusion | Yes | No | Marshall FH | 10.1021/JM201376W | 2012-03-21 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 3UZA | - | 3.3 | A | Inactive | -0.56 | - | - | - | - | - |
CHEMBL2024115
pubchem
|
Antagonist |
small molecule |
vapour diffusion | Yes | No | Marshall FH | 10.1021/JM201376W | 2012-03-21 | Yes | ||
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 4J4Q | 4J4Q_refined | 2.7 | A | Active | 8.54 | Gt | - | - | - |
retinal |
small molecule | N/A | N/A | N/A | vapour diffusion | No | No | Ernst OP | 10.1002/ANIE.201302374 | 2013-10-30 | Yes | |
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5N2R | 5N2R_refined | 2.8 | A | Inactive | -0.73 | - | - | BRIL | - | - |
PSB36
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Cooke RM | 10.1016/J.STR.2017.06.012 | 2017-07-26 | Yes | ||
| AA1R | A1 | Adenosine | A (Rhodopsin) | Human | 5N2S | 5N2S_refined | 3.3 | A | Inactive | -0.47 | - | - | - | - | - |
PSB36
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Cooke RM | 10.1016/J.STR.2017.06.012 | 2017-07-26 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5MZJ | 5MZJ_refined | 2.0 | A | Inactive | -0.54 | - | - | - | - | - |
Theophylline
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Cooke RM | 10.1016/J.STR.2017.06.012 | 2017-07-26 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 5MZP | 5MZP_refined | 2.1 | A | Inactive | -0.75 | - | - | - | - | - |
Caffeine
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Cooke RM | 10.1016/J.STR.2017.06.012 | 2017-07-26 | Yes | ||
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 5TE5 | - | 4.0 | A | Inactive | -0.47 | - | - | - | - |
retinal |
small molecule |
10,20-Methanoretinal
pubchem
|
Agonist |
small molecule |
vapour diffusion | No | No | Palczewski K | 10.1073/PNAS.1617446114 | 2017-03-15 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 5TE3 | 5TE3_refined | 2.7 | A | Active | 7.98 | - | - | - | - |
retinal |
small molecule | N/A | N/A | N/A | vapour diffusion | No | No | Palczewski K | 10.1073/PNAS.1617446114 | 2017-03-15 | Yes | |
| NK1R | NK1 | Tachykinin | A (Rhodopsin) | Human | 6J21 | - | 3.2 | A | Inactive | 0.35 | - | - | Endolysin | - | - |
Aprepitant
pubchem
chembl_ligand
|
Antagonist |
small molecule |
N/A | Yes | No | Zhao Q | 10.1038/S41467-019-08568-5 | 2019-03-06 | Yes | ||
| NK1R | NK1 | Tachykinin | A (Rhodopsin) | Human | 6J20 | 6J20_refined | 2.7 | A | Inactive | 0.21 | - | - | Endolysin | - | - |
Aprepitant
pubchem
chembl_ligand
|
Antagonist |
small molecule |
N/A | No | No | Zhao Q | 10.1038/S41467-019-08568-5 | 2019-03-06 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 4EIY | 4EIY_refined | 1.8 | A | Inactive | -0.55 | - | - | BRIL | - | - |
ZM241385
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | Yes | Stevens RC | 10.1126/SCIENCE.1219218 | 2012-07-25 | Yes | ||
| SMO | SMO | Frizzled | F (Frizzled) | Human | 5V57 | 5V57_refined | 3.0 | A | Inactive | -1.67 | - | - | Flavodoxin | - |
constitutive |
Constitutive |
N-methyl-N-[1-[4-(2-...
pubchem
|
Antagonist |
small molecule |
in meso/LCP | No | No | Xu F | 10.1038/NCOMMS15383 | 2017-05-24 | Yes | |
| SMO | SMO | Frizzled | F (Frizzled) | Human | 5V56 | 5V56_refined | 2.9 | B | Inactive | -1.89 | - | - | Flavodoxin | - |
constitutive |
Constitutive |
N-methyl-N-[1-[4-(2-...
pubchem
|
Antagonist |
small molecule |
in meso/LCP | No | No | Xu F | 10.1038/NCOMMS15383 | 2017-05-24 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Japanese flying squid | 3AYM | - | 2.8 | A,B | Inactive | -0.22 | - | - | - | - |
retinal |
small molecule |
retinal
gtoplig
|
Agonist |
small molecule |
vapour diffusion | Yes | No | Kouyama T | 10.1016/J.JMB.2011.08.044 | 2011-08-17 | No | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Japanese flying squid | 3AYN | - | 2.7 | A,B | Inactive | -0.22 | - | - | - | - |
retinal |
small molecule |
retinal
gtoplig
|
Inverse agonist |
small molecule |
vapour diffusion | Yes | No | Kouyama T | 10.1016/J.JMB.2011.08.044 | 2011-08-17 | No | |
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 2YCX | - | 3.3 | A | Inactive | -1.64 | - | - | - | - | - |
(S)-Cyanopindolol
pubchem
|
Antagonist |
small molecule |
vapour diffusion | Yes | No | Schertler GFX | 10.1073/PNAS.1100185108 | 2011-06-01 | No | ||
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 2YCY | - | 3.2 | A | Inactive | -1.62 | - | - | - | - | - |
(S)-Cyanopindolol
pubchem
|
Antagonist |
small molecule |
vapour diffusion | Yes | No | Schertler GFX | 10.1073/PNAS.1100185108 | 2011-06-08 | No | ||
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 2YCZ | - | 3.7 | B | Inactive | -1.72 | - | - | - | - | - |
timolol
pubchem
|
Antagonist |
small molecule |
vapour diffusion | Yes | No | Schertler GFX | 10.1073/PNAS.1100185108 | 2011-06-01 | Yes | ||
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 2YCW | 2YCW_refined | 3.0 | A | Inactive | -1.08 | - | - | - | - | - |
timolol
pubchem
|
Inverse agonist |
small molecule |
vapour diffusion | Yes | No | Schertler GFX | 10.1073/PNAS.1100185108 | 2011-06-01 | Yes | ||
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 5D5A | - | 2.5 | A | Inactive | -1.14 | - | - | T4-Lysozyme | - |
(-)-adrenaline (-)-noradrenaline |
small molecule |
Carazolol
pubchem
|
Inverse agonist |
small molecule |
in meso/LCP | Yes | No | Caffrey M | 10.1107/S2059798315021683 | 2016-01-13 | No | |
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 5D5B | - | 3.8 | A | Inactive | -1.06 | - | - | T4-Lysozyme | - |
(-)-adrenaline (-)-noradrenaline |
small molecule |
Carazolol
pubchem
|
Inverse agonist |
small molecule |
in meso/LCP | Yes | No | Caffrey M | 10.1107/S2059798315021683 | 2016-01-13 | No | |
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 6AQF | 6AQF_refined | 2.5 | A | Inactive | -0.44 | - | - | Soluble cytochrome b562 | - | - |
ZM241385
pubchem
|
Antagonist |
small molecule |
in meso/LCP | Yes | No | Wüthrich K | 10.1016/J.CELL.2017.12.004 | 2018-01-10 | Yes | ||
| CRFR1 | CRF1 | Corticotropin-releasing factor | B1 (Secretin) | Human | 4K5Y | 4K5Y_refined | 3.0 | C | Inactive | -2.02 | - | - | T4-Lysozyme | - |
corticotrophin-releasing hormone |
peptide |
CP-376395
pubchem
|
Antagonist |
small molecule |
in meso/LCP | No | No | Marshall FH | 10.1038/NATURE12357 | 2013-07-17 | Yes | |
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 5F8U | 5F8U_refined | 3.4 | A | Inactive | -0.51 | - | - | - | - | - |
(S)-Cyanopindolol
pubchem
|
Antagonist |
small molecule |
vapour diffusion | Yes | No | Tate CG | 10.1038/NSMB.3130 | 2015-12-23 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 2YDV | 2YDV_refined | 2.6 | A | Intermediate | 6.21 | - | - | - | - | - |
NECA
pubchem
|
Agonist |
small molecule |
vapour diffusion | Yes | No | Tate CG | 10.1038/NATURE10136 | 2011-05-18 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 2YDO | 2YDO_refined | 3.0 | A | Intermediate | 6.28 | - | - | - | - | - |
adenosine
pubchem
|
Agonist |
small molecule |
vapour diffusion | Yes | No | Tate CG | 10.1038/NATURE10136 | 2011-05-18 | Yes | ||
| 5HT2B | 5-HT2B | 5-Hydroxytryptamine | A (Rhodopsin) | Human | 6DRZ | 6DRZ_refined | 3.1 | A | Intermediate | 4.19 | - | - | Soluble cytochrome b562 | - |
5-hydroxytryptamine |
small molecule |
Methysergide
pubchem
|
Antagonist |
small molecule |
N/A | Yes | No | Roth BL | 10.1038/S41594-018-0116-7 | 2018-08-29 | Yes | |
| 5HT2B | 5-HT2B | 5-Hydroxytryptamine | A (Rhodopsin) | Human | 6DS0 | 6DS0_refined | 3.2 | A | Intermediate | 3.21 | - | - | Soluble cytochrome b562 | - |
5-hydroxytryptamine |
small molecule |
LY266097
pubchem
|
Antagonist |
small molecule |
N/A | Yes | No | Roth BL | 10.1038/S41594-018-0116-7 | 2018-08-29 | Yes | |
| 5HT2B | 5-HT2B | 5-Hydroxytryptamine | A (Rhodopsin) | Human | 6DRY | 6DRY_refined | 2.9 | A | Intermediate | 4.34 | - | - | Soluble cytochrome b562 | - |
5-hydroxytryptamine |
small molecule |
Methylergonovine
pubchem
chembl_ligand
|
Agonist |
small molecule |
N/A | Yes | No | Roth BL | 10.1038/S41594-018-0116-7 | 2018-08-29 | Yes | |
| 5HT2B | 5-HT2B | 5-Hydroxytryptamine | A (Rhodopsin) | Human | 6DRX | 6DRX_refined | 3.1 | A | Intermediate | 2.67 | - | - | Soluble cytochrome b562 | - |
5-hydroxytryptamine |
small molecule |
Lisuride
pubchem
|
Antagonist |
small molecule |
N/A | Yes | No | Roth BL | 10.1038/S41594-018-0116-7 | 2018-08-29 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 6FKB | 6FKB_refined | 3.0 | A | Active | 7.93 | - | - | - | - |
retinal |
small molecule |
2-(4-chlorophenyl)-1...
|
Agonist |
small molecule |
vapour diffusion | No | No | Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 6FK9 | 6FK9_refined | 2.6 | A | Active | 7.83 | - | - | - | - |
retinal |
small molecule |
(2~{S})-3-methyl-2-p...
|
Agonist |
small molecule |
vapour diffusion | No | No | Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 6FKD | 6FKD_refined | 2.5 | A | Active | 7.92 | - | - | - | - |
retinal |
small molecule |
5-chloranyl-2-(2-oxi...
|
Agonist |
small molecule |
vapour diffusion | No | No | Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 6FK7 | 6FK7_refined | 2.6 | A | Active | 7.68 | - | - | - | - |
retinal |
small molecule |
(2~{R},3~{R})-2-(4-c...
|
Agonist |
small molecule |
vapour diffusion | No | No | Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 6FKC | - | 2.5 | A | Active | 7.84 | - | - | - | - |
retinal |
small molecule |
3-[1'-[(2~{S})-2-(4-...
|
Agonist |
small molecule |
vapour diffusion | No | No | Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 6FK8 | 6FK8_refined | 2.9 | A | Active | 7.94 | - | - | - | - |
retinal |
small molecule |
(2~{R},3~{S})-3-azan...
|
Agonist |
small molecule |
vapour diffusion | No | No | Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 6FKA | 6FKA_refined | 2.7 | A | Active | 7.99 | - | - | - | - |
retinal |
small molecule |
(2~{S})-2-(3,4-dichl...
|
Agonist |
small molecule |
vapour diffusion | No | No | Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
| ADRB1 | β1 | Adrenoceptors | A (Rhodopsin) | Common turkey | 2VT4 | - | 2.7 | B | Inactive | -1.55 | - | - | - | - | - |
(S)-Cyanopindolol
pubchem
|
Antagonist |
small molecule |
vapour diffusion | Yes | No | Schertler GFX | 10.1038/NATURE07101 | 2008-06-24 | No | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 3RFM | - | 3.6 | A | Inactive | -0.48 | - | - | - | - | - |
caffeine
pubchem
|
Antagonist |
small molecule |
vapour diffusion | Yes | No | Marshall FH | 10.1016/J.STR.2011.06.014 | 2011-09-07 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 3REY | 3REY_refined | 3.3 | A | Inactive | -0.38 | - | - | - | - | - |
Xanthine amine conge...
pubchem
|
Antagonist |
small molecule |
vapour diffusion | Yes | No | Marshall FH | 10.1016/J.STR.2011.06.014 | 2011-09-07 | Yes | ||
| AA2AR | A2A | Adenosine | A (Rhodopsin) | Human | 3PWH | - | 3.3 | A | Inactive | -0.67 | - | - | - | - | - |
ZM241385
pubchem
|
Antagonist |
small molecule |
vapour diffusion | Yes | No | Marshall FH | 10.1016/J.STR.2011.06.014 | 2011-09-07 | No | ||
| P2Y12 | P2Y12 | P2Y | A (Rhodopsin) | Human | 4PXZ | - | 2.5 | A | Intermediate | 3.91 | - | - | BRIL | - | - |
2-MeSADP
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Zhao Q | 10.1038/NATURE13288 | 2014-04-30 | Yes | ||
| P2Y12 | P2Y12 | P2Y | A (Rhodopsin) | Human | 4PY0 | 4PY0_refined | 3.1 | A | Intermediate | 3.81 | - | - | BRIL | - | - |
2-Mesatp
pubchem
|
Agonist (partial) |
small molecule |
in meso/LCP | Yes | No | Zhao Q | 10.1038/NATURE13288 | 2014-04-30 | Yes | ||
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 2R4S | - | 3.4 | A | Inactive | -2.89 | - | - | - | Antibody |
(-)-adrenaline (-)-noradrenaline |
small molecule | N/A | N/A | N/A | vapour diffusion | Yes | No | Kobilka BK | 10.1038/NATURE06325 | 2007-11-06 | No | |
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 2R4R | - | 3.4 | A | Inactive | -2.80 | - | - | - | Antibody |
(-)-adrenaline (-)-noradrenaline |
small molecule | N/A | N/A | N/A | vapour diffusion | Yes | No | Kobilka BK | 10.1038/NATURE06325 | 2007-11-06 | No | |
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 4LDL | - | 3.1 | A | Active | 9.26 | - | - | T4-Lysozyme | Nanobody |
(-)-adrenaline (-)-noradrenaline |
small molecule |
hydroxybenzylisoprot...
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Kobilka BK | 10.1038/NATURE12572 | 2013-09-25 | Yes | |
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 4LDE | 4LDE_refined | 2.8 | A | Active | 9.40 | - | - | T4-Lysozyme | Nanobody |
(-)-adrenaline (-)-noradrenaline |
small molecule |
BI167107
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Kobilka BK | 10.1038/NATURE12572 | 2013-09-25 | Yes | |
| ADRB2 | β2 | Adrenoceptors | A (Rhodopsin) | Human | 4LDO | 4LDO_refined | 3.2 | A | Active | 9.16 | - | - | T4-Lysozyme | Nanobody |
(-)-adrenaline (-)-noradrenaline |
small molecule |
epinephrine
pubchem
|
Agonist |
small molecule |
in meso/LCP | Yes | No | Kobilka BK | 10.1038/NATURE12572 | 2013-09-25 | Yes | |
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 4PXF | - | 2.8 | A | Active | 8.58 | - | Arrestin fragment | - | - |
retinal |
small molecule | N/A | N/A | N/A | vapour diffusion | No | No | Scheerer P | 10.1038/NCOMMS5801 | 2014-09-17 | No | |
| GLR | glucagon | Glucagon | B1 (Secretin) | Human | 4L6R | 4L6R_refined | 3.3 | A | Inactive | -4.62 | - | - | BRIL | - | - | N/A | N/A | N/A | in meso/LCP | No | No | Stevens RC | 10.1038/NATURE12393 | 2013-07-24 | Yes | ||
| OPSD | Rhodopsin | Opsins | A (Rhodopsin) | Bovine | 3OAX | - | 2.6 | A | Inactive | 0.02 | - | - | - | - |
retinal |
small molecule | retinal | ||||||||||