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RECEPTOR
|
STRUCTURE
|
SIGNAL PROTEIN
|
AUXILIARY PROTEIN
|
STRUCTURE LIGAND
|
ENDOGENOUS LIGAND
|
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 | ||
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1F88 | 1F88_refined | 2.8 | A | Inactive | 24 | 97 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Palczewski K, Kumasaka T, Hori T, Behnke CA, Motoshima H, Fox BA, Le Trong I, Teller DC, Okada T, Stenkamp RE, Yamamoto M, Miyano M | 10.1126/SCIENCE.289.5480.739 | 2000-08-04 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1L9H | - | 2.6 | A | Inactive | 24 | 98 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | - | 10.1073/PNAS.082666399 | 2002-05-15 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1HZX | - | 2.8 | A | Inactive | 24 | 98 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Teller DC, Okada T, Behnke CA, Palczewski K, Stenkamp RE | 10.1021/BI0155091 | 2001-07-04 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1GZM | 1GZM_refined | 2.7 | A | Inactive | 24 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Li J, Edwards PC, Burghammer M, Villa C, Schertler GF | 10.1016/J.JMB.2004.08.090 | 2003-11-20 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 1U19 | 1U19_refined | 2.2 | A | Inactive | 24 | 100 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Okada T, Sugihara M, Bondar AN, Elstner M, Entel P, Buss V | 10.1016/J.JMB.2004.07.044 | 2004-10-12 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2HPY | - | 2.8 | B | Inactive | 24 | 100 | - | - | - | - | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Nakamichi H, Okada T | 10.1073/PNAS.0601765103 | 2006-08-22 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2G87 | - | 2.6 | A | Inactive | 24 | 100 | - | - | - | - | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Nakamichi H, Okada T | 10.1002/ANIE.200600595 | 2006-09-02 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2I35 | - | 3.8 | A | Inactive | 24 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Salom D, Lodowski DT, Stenkamp RE, Le Trong I, Golczak M, Jastrzebska B, Harris T, Ballesteros JA, Palczewski K | 10.1073/PNAS.0608022103 | 2006-10-17 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2I36 | - | 4.1 | A | Inactive | 24 | 94 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Salom D, Lodowski DT, Stenkamp RE, Le Trong I, Golczak M, Jastrzebska B, Harris T, Ballesteros JA, Palczewski K | 10.1073/PNAS.0608022103 | 2006-10-17 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2I37 | - | 4.2 | A | Inactive | 24 | 91 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Salom D, Lodowski DT, Stenkamp RE, Le Trong I, Golczak M, Jastrzebska B, Harris T, Ballesteros JA, Palczewski K | 10.1073/PNAS.0608022103 | 2006-10-17 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2J4Y | - | 3.4 | B | Inactive | 24 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Standfuss J, Xie G, Edwards PC, Burghammer M, Oprian DD, Schertler GF | 10.1016/J.JMB.2007.03.007 | 2007-09-25 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2PED | - | 3.0 | B | Inactive | 24 | 100 | - | - | - | - | - | - |
Retinal (9-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Nakamichi H, Buss V, Okada T | 10.1529/BIOPHYSJ.107.108225 | 2007-10-30 | No | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 2RH1 | 2RH1_refined | 2.4 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Carazolol
PubChem
|
small-molecule | Inverse agonist | (-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Cherezov V, Rosenbaum DM, Hanson MA, Rasmussen SG, Thian FS, Kobilka TS, Choi HJ, Kuhn P, Weis WI, Kobilka BK, Stevens RC | 10.1126/SCIENCE.1150577 | 2007-10-30 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 2R4R | - | 3.4 | A | Inactive | 1 | 52 | - | - | - | - | - | Antibody | - | - | - | (-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Rasmussen SG, Choi HJ, Rosenbaum DM, Kobilka TS, Thian FS, Edwards PC, Burghammer M, Ratnala VR, Sanishvili R, Fischetti RF, Schertler GF, Weis WI, Kobilka BK | 10.1038/NATURE06325 | 2007-11-06 | No | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 2R4S | - | 3.4 | A | Inactive | 1 | 52 | - | - | - | - | - | Antibody | - | - | - | (-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Rasmussen SG, Choi HJ, Rosenbaum DM, Kobilka TS, Thian FS, Edwards PC, Burghammer M, Ratnala VR, Sanishvili R, Fischetti RF, Schertler GF, Weis WI, Kobilka BK | 10.1038/NATURE06325 | 2007-11-06 | No | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 2ZIY | - | 3.7 | A | Inactive | 14 | 83 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | Yes | No | Shimamura T, Hiraki K, Takahashi N, Hori T, Ago H, Masuda K, Takio K, Ishiguro M, Miyano M | 10.1074/JBC.C800040200 | 2008-05-06 | No | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 2Z73 | 2Z73_refined | 2.5 | A | Inactive | 14 | 78 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | Yes | No | Murakami M, Kouyama T | 10.1038/NATURE06925 | 2008-05-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3D4S | 3D4S_refined | 2.8 | A | Inactive | 0 | 67 | - | - | - | - | T4-Lysozyme | - |
timolol
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Inverse agonist | (-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Hanson MA, Cherezov V, Griffith MT, Roth CB, Jaakola VP, Chien EY, Velasquez J, Kuhn P, Stevens RC | 10.1016/J.STR.2008.05.001 | 2008-06-17 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2VT4 | - | 2.7 | B | Inactive | 0 | 57 | - | - | - | - | - | - |
(S)-Cyanopindolol
PubChem
|
small-molecule | Antagonist | - | - | Yes | No | Warne T, Serrano-Vega MJ, Baker JG, Moukhametzianov R, Edwards PC, Henderson R, Leslie AG, Tate CG, Schertler GF | 10.1038/NATURE07101 | 2008-06-24 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3CAP | - | 2.9 | A | Active | 99 | 94 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Park JH, Scheerer P, Hofmann KP, Choe HW, Ernst OP | 10.1038/NATURE07063 | 2008-06-24 | No | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3C9L | 3C9L_refined | 2.7 | A | Inactive | 24 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Stenkamp RE | 10.1107/S0907444908017162 | 2008-08-05 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3C9M | 3C9M_refined | 3.4 | A | Inactive | 24 | 94 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Stenkamp RE | 10.1107/S0907444908017162 | 2008-08-05 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3DQB | 3DQB_refined | 3.2 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Scheerer P, Park JH, Hildebrand PW, Kim YJ, Krauss N, Choe HW, Hofmann KP, Ernst OP | 10.1038/NATURE07330 | 2008-09-23 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3EML | - | 2.6 | A | Inactive | 1 | 70 | - | - | - | - | T4-Lysozyme | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Jaakola VP, Griffith MT, Hanson MA, Cherezov V, Chien EY, Lane JR, Ijzerman AP, Stevens RC | 10.1126/SCIENCE.1164772 | 2008-10-14 | No | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3KJ6 | - | 3.4 | A | Inactive | 1 | 54 | - | - | - | - | - | Antibody | - | - | - | (-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Bokoch MP, Zou Y, Rasmussen SG, Liu CW, Nygaard R, Rosenbaum DM, Fung JJ, Choi HJ, Thian FS, Kobilka TS, Puglisi JD, Weis WI, Pardo L, Prosser RS, Mueller L, Kobilka BK | 10.1038/NATURE08650 | 2010-02-16 | No | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3NY8 | 3NY8_refined | 2.8 | A | Inactive | 0 | 67 | - | - | - | - | T4-Lysozyme | - |
CHEMBL1233766
ChEMBL_compound_ids
PubChem
|
small-molecule | Inverse agonist | (-)-adrenaline, L-NOREPINEPHRINE, 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 | Human | X-ray | 3NY9 | 3NY9_refined | 2.8 | A | Inactive | 0 | 67 | - | - | - | - | T4-Lysozyme | - |
CHEMBL1233771
ChEMBL_compound_ids
PubChem
|
small-molecule | Inverse agonist | (-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | - | - | 2010-08-11 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3NYA | 3NYA_refined | 3.2 | A | Inactive | 0 | 67 | - | - | - | - | T4-Lysozyme | - |
CHEMBL1160734
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | (-)-adrenaline, L-NOREPINEPHRINE, 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 | |
CXCR4 | CXCR4 | Chemokine | A | Human | X-ray | 3ODU | 3ODU_refined | 2.5 | A | Inactive | 5 | 83 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | CXCL12δ, CXCL12α, CXCL12, CXCL12γ, CXCL12β, CXCL12φ, CXCL12ε | peptide | Yes | No | Wu B, Chien EY, 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 | Human | X-ray | 3OE0 | 3OE0_refined | 2.9 | A | Inactive | 5 | 78 | - | - | - | - | T4-Lysozyme | - |
CVX15
|
peptide | Antagonist | CXCL12δ, CXCL12α, CXCL12, CXCL12γ, CXCL12β, CXCL12φ, CXCL12ε | peptide | Yes | No | Wu B, Chien EY, 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 | Human | X-ray | 3OE6 | - | 3.2 | A | Inactive | 5 | 77 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | CXCL12δ, CXCL12α, CXCL12, CXCL12γ, CXCL12β, CXCL12φ, CXCL12ε | peptide | Yes | No | Wu B, Chien EY, 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 | Human | X-ray | 3OE8 | - | 3.1 | A | Inactive | 5 | 76 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | CXCL12δ, CXCL12α, CXCL12, CXCL12γ, CXCL12β, CXCL12φ, CXCL12ε | peptide | Yes | No | Wu B, Chien EY, 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 | Human | X-ray | 3OE9 | - | 3.1 | A | Inactive | 5 | 74 | - | - | - | - | T4-Lysozyme | - |
isothiourea-1t
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | CXCL12δ, CXCL12α, CXCL12, CXCL12γ, CXCL12β, CXCL12φ, CXCL12ε | peptide | Yes | No | Wu B, Chien EY, 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 | |
DRD3 | D3 | Dopamine | A | Human | X-ray | 3PBL | 3PBL_refined | 2.9 | A | Inactive | 1 | 68 | - | - | - | - | T4-Lysozyme | - |
eticlopride
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | dopamine | small-molecule | Yes | No | Chien EY, Liu W, Zhao Q, Katritch V, Han GW, Hanson MA, Shi L, Newman AH, Javitch JA, Cherezov V, Stevens RC | 10.1126/SCIENCE.1197410 | 2010-11-03 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2Y00 | 2Y00_refined | 2.5 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
Dobutamine
PubChem
|
small-molecule | Agonist (partial) | - | - | Yes | No | Warne T, Moukhametzianov R, Baker JG, Nehme R, Edwards PC, Leslie AG, Schertler GF, Tate CG | 10.1038/NATURE09746 | 2011-01-12 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2Y02 | 2Y02_refined | 2.6 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
CARMOTEROL
ChEMBL_compound_ids
PubChem
PubChem
|
small-molecule | Agonist | - | - | Yes | No | Warne T, Moukhametzianov R, Baker JG, Nehme R, Edwards PC, Leslie AG, Schertler GF, Tate CG | 10.1038/NATURE09746 | 2011-01-12 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2Y03 | 2Y03_refined | 2.9 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
(R)-Isoproterenol
PubChem
ChEMBL_compound_ids
|
small-molecule | Agonist | - | - | Yes | No | Warne T, Moukhametzianov R, Baker JG, Nehme R, Edwards PC, Leslie AG, Schertler GF, Tate CG | 10.1038/NATURE09746 | 2011-01-12 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2Y04 | 2Y04_refined | 3.1 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
levosalbutamol
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Drug Central
DrugBank
|
small-molecule | Agonist (partial) | - | - | Yes | No | Warne T, Moukhametzianov R, Baker JG, Nehme R, Edwards PC, Leslie AG, Schertler GF, Tate CG | 10.1038/NATURE09746 | 2011-01-12 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3PDS | 3PDS_refined | 3.5 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
FAUC50
PubChem
|
small-molecule | Agonist | (-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Rosenbaum DM, Zhang C, Lyons JA, Holl R, Aragao D, Arlow DH, Rasmussen SG, Choi HJ, Devree BT, Sunahara RK, Chae PS, Gellman SH, Dror RO, Shaw DE, Weis WI, Caffrey M, Gmeiner P, Kobilka BK | 10.1038/NATURE09665 | 2011-01-12 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3OAX | - | 2.6 | A | Inactive | 24 | 100 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | No | No | Makino CL, Riley CK, Looney J, Crouch RK, Okada T | 10.1016/J.BPJ.2010.08.003 | 2011-01-19 | No | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 3P0G | 3P0G_refined | 3.5 | A | Active | 100 | 69 | - | - | - | - | T4-Lysozyme | Nanobody |
BI-167107
PubChem
|
small-molecule | Agonist | (-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Rasmussen SG, Choi HJ, Fung JJ, Pardon E, Casarosa P, Chae PS, Devree BT, Rosenbaum DM, Thian FS, Kobilka TS, Schnapp A, Konetzki I, Sunahara RK, Gellman SH, Pautsch A, Steyaert J, Weis WI, Kobilka BK | 10.1038/NATURE09648 | 2011-01-19 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3PQR | 3PQR_refined | 2.9 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Choe HW, Kim YJ, Park JH, Morizumi T, Pai EF, Krauss N, Hofmann KP, Scheerer P, Ernst OP | 10.1038/NATURE09789 | 2011-03-09 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 3PXO | - | 3.0 | A | Active | 99 | 94 | - | - | - | - | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Choe HW, Kim YJ, Park JH, Morizumi T, Pai EF, Krauss N, Hofmann KP, Scheerer P, Ernst OP | 10.1038/NATURE09789 | 2011-03-09 | No | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3QAK | 3QAK_refined | 2.7 | A | Active | 73 | 69 | - | - | - | - | T4-Lysozyme | - |
UK-432,097
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | Xu F, Wu H, Katritch V, Han GW, Jacobson KA, Gao ZG, Cherezov V, Stevens RC | 10.1126/SCIENCE.1202793 | 2011-03-09 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 2X72 | 2X72_refined | 3.0 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Standfuss J, Edwards PC, D'Antona A, Fransen M, Xie G, Oprian DD, Schertler GF | 10.1038/NATURE09795 | 2011-03-16 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2Y01 | - | 2.6 | A | Inactive | 0 | 59 | - | - | - | - | - | - |
Dobutamine
PubChem
|
small-molecule | Agonist (partial) | - | - | Yes | No | Warne T, Moukhametzianov R, Baker JG, Nehme R, Edwards PC, Leslie AG, Schertler GF, Tate CG | 10.1038/NATURE09746 | 2011-03-30 | No | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 2YDO | 2YDO_refined | 3.0 | A | Active | 73 | 73 | - | - | - | - | - | - |
adenosine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | Lebon G, Warne T, Edwards PC, Bennett K, Langmead CJ, Leslie AG, Tate CG | 10.1038/NATURE10136 | 2011-05-18 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 2YDV | 2YDV_refined | 2.6 | A | Active | 73 | 75 | - | - | - | - | - | - |
NECA
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | Lebon G, Warne T, Edwards PC, Bennett K, Langmead CJ, Leslie AG, Tate CG | 10.1038/NATURE10136 | 2011-05-18 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2YCW | 2YCW_refined | 3.0 | A | Inactive | 0 | 61 | - | - | - | - | - | - |
Carazolol
PubChem
|
small-molecule | Antagonist | - | - | Yes | No | Moukhametzianov R, Warne T, Edwards PC, Serrano-Vega MJ, Leslie AG, Tate CG, Schertler GF | 10.1073/PNAS.1100185108 | 2011-06-01 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2YCX | - | 3.3 | A | Inactive | 0 | 59 | - | - | - | - | - | - |
(S)-Cyanopindolol
PubChem
|
small-molecule | Antagonist | - | - | Yes | No | Moukhametzianov R, Warne T, Edwards PC, Serrano-Vega MJ, Leslie AG, Tate CG, Schertler GF | 10.1073/PNAS.1100185108 | 2011-06-01 | No | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2YCZ | 2YCZ_refined | 3.7 | B | Inactive | 0 | 60 | - | - | - | - | - | - |
Iodocyanopindolol
PubChem
|
small-molecule | Antagonist | - | - | Yes | No | Moukhametzianov R, Warne T, Edwards PC, Serrano-Vega MJ, Leslie AG, Tate CG, Schertler GF | 10.1073/PNAS.1100185108 | 2011-06-01 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 2YCY | - | 3.2 | A | Inactive | 0 | 60 | - | - | - | - | - | - |
(S)-Cyanopindolol
PubChem
|
small-molecule | Antagonist | - | - | Yes | No | Moukhametzianov R, Warne T, Edwards PC, Serrano-Vega MJ, Leslie AG, Tate CG, Schertler GF | 10.1073/PNAS.1100185108 | 2011-06-08 | No | |
HRH1 | H1 | Histamine | A | Human | X-ray | 3RZE | 3RZE_refined | 3.1 | A | Inactive | 3 | 55 | - | - | - | - | T4-Lysozyme | - |
doxepin
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Guide To Pharmacology
|
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 | |
ADRB2 | β2 | Adrenoceptors | A | 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, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Rasmussen SG, DeVree BT, Zou Y, Kruse AC, Chung KY, Kobilka TS, Thian FS, Chae PS, Pardon E, Calinski D, Mathiesen JM, Shah ST, Lyons JA, Caffrey M, Gellman SH, Steyaert J, Skiniotis G, Weis WI, Sunahara RK, Kobilka BK | 10.1038/NATURE10361 | 2011-07-20 | Yes | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 3AYM | - | 2.8 | B | Inactive | 14 | 77 | - | - | - | - | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | Yes | No | Murakami M, Kouyama T | 10.1016/J.JMB.2011.08.044 | 2011-08-17 | No | |
OPSD | Rhodopsin | Opsins | A | Japanese flying squid | X-ray | 3AYN | - | 2.7 | B | Inactive | 14 | 77 | - | - | - | - | - | - |
Retinal (9-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | Yes | No | Murakami M, Kouyama T | 10.1016/J.JMB.2011.08.044 | 2011-08-17 | No | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3PWH | - | 3.3 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Dore AS, Robertson N, Errey JC, Ng I, Hollenstein K, Tehan B, Hurrell E, Bennett K, Congreve M, Magnani F, Tate CG, Weir M, Marshall FH | 10.1016/J.STR.2011.06.014 | 2011-09-07 | No | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3REY | 3REY_refined | 3.3 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
xanthine amine congener
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Dore AS, Robertson N, Errey JC, Ng I, Hollenstein K, Tehan B, Hurrell E, Bennett K, Congreve M, Magnani F, Tate CG, Weir M, Marshall FH | 10.1016/J.STR.2011.06.014 | 2011-09-07 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3RFM | 3RFM_refined | 3.6 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
caffeine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Dore AS, Robertson N, Errey JC, Ng I, Hollenstein K, Tehan B, Hurrell E, Bennett K, Congreve M, Magnani F, Tate CG, Weir M, Marshall FH | 10.1016/J.STR.2011.06.014 | 2011-09-07 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4A4M | 4A4M_refined | 3.3 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Deupi X, Edwards P, Singhal A, Nickle B, Oprian D, Schertler G, Standfuss J | 10.1073/PNAS.1114089108 | 2012-01-25 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | X-ray | 3UON | 3UON_refined | 3.0 | A | Inactive | 3 | 60 | - | - | - | - | T4-Lysozyme | - |
CHEMBL558910
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | acetylcholine | small-molecule | Yes | No | Haga K, Kruse AC, Asada H, Yurugi-Kobayashi T, Shiroishi M, Zhang C, Weis WI, Okada T, Kobilka BK, Haga T, Kobayashi T | 10.1038/NATURE10753 | 2012-02-01 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3VG9 | 3VG9_refined | 2.7 | A | Inactive | 1 | 72 | - | - | - | - | - | Antibody fab fragment light chain Antibody fab fragment heavy chain |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3VGA | - | 3.1 | A | Inactive | 1 | 72 | - | - | - | - | - | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
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 | |
S1PR1 | S1P1 | Lysophospholipid (S1P) | A | Human | X-ray | 3V2W | - | 3.4 | A | Inactive | 1 | 68 | - | - | - | - | T4-Lysozyme | - |
W146
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | sphingosylphosphorylcholine, sphingosine 1-phosphate, dihydrosphingosine 1-phosphate | 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 | Human | X-ray | 3V2Y | 3V2Y_refined | 2.8 | A | Inactive | 1 | 76 | - | - | - | - | T4-Lysozyme | - |
W146
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | sphingosylphosphorylcholine, sphingosine 1-phosphate, dihydrosphingosine 1-phosphate | 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 | |
ACM3 | M3 | Acetylcholine (muscarinic) | A | Rat | X-ray | 4DAJ | - | 3.4 | A | Inactive | 3 | 46 | - | - | - | - | T4-Lysozyme | - |
tiotropium
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Guide To Pharmacology
|
small-molecule | Antagonist | acetylcholine | small-molecule | Yes | No | Kruse AC, Hu J, Pan AC, Arlow DH, Rosenbaum DM, Rosemond E, Green HF, Liu T, Chae PS, Dror RO, Shaw DE, Weis WI, Wess J, Kobilka BK | 10.1038/NATURE10867 | 2012-02-22 | No | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3UZA | 3UZA_refined | 3.3 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
compound 4g [PMID: 22220592]
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Congreve M, Andrews SP, Dore AS, Hollenstein K, Hurrell E, Langmead CJ, Mason JS, Ng IW, Tehan B, Zhukov A, Weir M, Marshall FH | 10.1021/JM201376W | 2012-03-21 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 3UZC | 3UZC_refined | 3.3 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
CHEMBL2024114
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Congreve M, Andrews SP, Dore AS, Hollenstein K, Hurrell E, Langmead CJ, Mason JS, Ng IW, Tehan B, Zhukov A, Weir M, Marshall FH | 10.1021/JM201376W | 2012-03-21 | Yes | |
OPRK | κ | Opioid | A | Human | X-ray | 4DJH | 4DJH_refined | 2.9 | A | Inactive | 5 | 76 | - | - | - | - | T4-Lysozyme | - |
JDTic
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | big dynorphin, α-neoendorphin, dynorphin B, dynorphin A-(1-8), β-neoendorphin, dynorphin A, β-endorphin, dynorphin A-(1-13) | peptide | Yes | No | Wu H, Wacker D, Mileni M, Katritch V, Han GW, Vardy E, Liu W, Thompson AA, Huang XP, Carroll FI, Mascarella SW, Westkaemper RB, Mosier PD, Roth BL, Cherezov V, Stevens RC | 10.1038/NATURE10939 | 2012-03-21 | Yes | |
OPRM | μ | Opioid | A | Mouse | X-ray | 4DKL | 4DKL_refined | 2.8 | A | Inactive | 5 | 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 | - | - | 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 | |
OPRX | NOP | Opioid | A | Human | X-ray | 4EA3 | 4EA3_refined | 3.0 | A | Inactive | 5 | 75 | - | - | - | - | BRIL | - |
compound 24 [PMID: 16451050]
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | nociceptin/orphanin FQ | peptide | Yes | No | Thompson AA, Liu W, Chun E, Katritch V, Wu H, Vardy E, Huang XP, Trapella C, Guerrini R, Calo G, Roth BL, Cherezov V, Stevens RC | 10.1038/NATURE11085 | 2012-04-25 | Yes | |
OPRD | δ | Opioid | A | Mouse | X-ray | 4EJ4 | 4EJ4_refined | 3.4 | A | Inactive | 5 | 76 | - | - | - | - | T4-Lysozyme | - |
naltrindole
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
|
small-molecule | Antagonist | β-endorphin, [Met]enkephalin, [Leu]enkephalin, α-neoendorphin | peptide | Yes | No | Granier S, Manglik A, Kruse AC, Kobilka TS, Thian FS, Weis WI, Kobilka BK | 10.1038/NATURE11111 | 2012-05-16 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 4AMI | 4AMI_refined | 3.2 | A | Inactive | 0 | 58 | - | - | - | - | - | - |
Bucindolol
PubChem
|
small-molecule | Agonist | - | - | 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 | Wild turkey | X-ray | 4AMJ | 4AMJ_refined | 2.3 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
(S)-Carvedilol
PubChem
ChEMBL_compound_ids
|
small-molecule | Inverse agonist | - | - | Yes | No | Warne T, Edwards PC, Leslie AG, Tate CG | 10.1016/J.STR.2012.03.014 | 2012-05-23 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 4EIY | 4EIY_refined | 1.8 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Liu W, Chun E, Thompson AA, Chubukov P, Xu F, Katritch V, Han GW, Roth CB, Heitman LH, IJzerman AP, Cherezov V, Stevens RC | 10.1126/SCIENCE.1219218 | 2012-07-25 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4GRV | 4GRV_refined | 2.8 | A | Active | 84 | 69 | - | - | - | - | T4-Lysozyme | - |
JMV431
Guide To Pharmacology
ChEMBL_compound_ids
PubChem
|
peptide | Agonist | neuromedin N, neurotensin | peptide | Yes | No | White JF, Noinaj N, Shibata Y, Love J, Kloss B, Xu F, Gvozdenovic-Jeremic J, Shah P, Shiloach J, Tate CG, Grisshammer R | 10.1038/NATURE11558 | 2012-10-17 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 4GBR | 4GBR_refined | 4.0 | A | Inactive | 0 | 69 | - | - | - | - | T4-Lysozyme | - |
Carazolol
PubChem
|
small-molecule | Inverse agonist | (-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Zou Y, Weis WI, Kobilka BK | 10.1371/JOURNAL.PONE.0046039 | 2012-10-24 | Yes | |
PAR1 | PAR1 | Proteinase-activated | A | Human | X-ray | 3VW7 | 3VW7_refined | 2.2 | A | Intermediate | 39 | 66 | - | - | - | - | T4-Lysozyme | - |
vorapaxar
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Drug Central
DrugBank
|
small-molecule | Antagonist | thrombin | peptide | 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 | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 4GPO | 4GPO_refined | 3.5 | B | Inactive | 0 | 58 | - | - | - | - | - | - | - | - | - | - | - | Yes | No | Huang J, Chen S, Zhang JJ, Huang XY | 10.1038/NSMB.2504 | 2013-02-27 | Yes | |
5HT1B | 5-HT1B | 5-Hydroxytryptamine | A | Human | X-ray | 4IAQ | 4IAQ_refined | 2.8 | A | Inactive | 83 | 70 | - | - | - | - | BRIL | - |
dihydroergotamine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Agonist | 5-HT-moduline, tryptamine, 5-hydroxytryptamine | small-molecule | Yes | No | Wang C, Jiang Y, Ma J, Wu H, Wacker D, Katritch V, Han GW, Liu W, Huang XP, 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 | Human | X-ray | 4IAR | 4IAR_refined | 2.7 | A | Inactive | 83 | 70 | - | - | - | - | BRIL | - |
ergotamine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Agonist | 5-HT-moduline, tryptamine, 5-hydroxytryptamine | small-molecule | Yes | No | Wang C, Jiang Y, Ma J, Wu H, Wacker D, Katritch V, Han GW, Liu W, Huang XP, 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 | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 4IB4 | 4IB4_refined | 2.7 | A | Intermediate | 39 | 59 | - | - | - | - | BRIL | - |
ergotamine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Agonist | 5-hydroxytryptamine | small-molecule | Yes | No | Wacker D, Wang C, Katritch V, Han GW, Huang XP, 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 | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 3ZPQ | 3ZPQ_refined | 2.8 | B | Inactive | 0 | 62 | - | - | - | - | - | - |
CHEMBL200234
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | - | - | Yes | Yes | Christopher JA, Brown J, Dore 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 | Wild turkey | X-ray | 3ZPR | 3ZPR_refined | 2.7 | B | Inactive | 0 | 61 | - | - | - | - | - | - |
CHEMBL1559535
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | - | - | Yes | Yes | Christopher JA, Brown J, Dore 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 | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4BEZ | - | 3.3 | A | Active | 99 | 94 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Singhal A, Ostermaier MK, Vishnivetskiy SA, Panneels V, Homan KT, Tesmer JJ, Veprintsev D, Deupi X, Gurevich VV, Schertler GF, Standfuss J | 10.1038/EMBOR.2013.44 | 2013-04-24 | No | |
SMO | SMO | Frizzled | F | Human | X-ray | 4JKV | 4JKV_refined | 2.5 | A | Inactive | 0 | 44 | - | - | - | - | BRIL | - |
taladegib
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | - | - | No | No | Wang C, Wu H, Katritch V, Han GW, Huang XP, Liu W, Siu FY, Roth BL, Cherezov V, Stevens RC | 10.1038/NATURE12167 | 2013-04-24 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4BEY | 4BEY_refined | 2.9 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Singhal A, Ostermaier MK, Vishnivetskiy SA, Panneels V, Homan KT, Tesmer JJ, Veprintsev D, Deupi X, Gurevich VV, Schertler GF, Standfuss J | 10.1038/EMBOR.2013.44 | 2013-05-08 | Yes | |
CRFR1 | CRF1 | Corticotropin-releasing factor | B1 | Human | X-ray | 4K5Y | 4K5Y_refined | 3.0 | C | Inactive | 17 | 60 | - | - | - | - | T4-Lysozyme | - |
CP 376,395
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | corticotrophin-releasing hormone, urocortin 1, urocortin 2 | peptide | No | No | Hollenstein K, Kean J, Bortolato A, Cheng RK, Dore AS, Jazayeri A, Cooke RM, Weir M, Marshall FH | 10.1038/NATURE12357 | 2013-07-17 | Yes | |
GLR | glucagon | Glucagon | B1 | Human | X-ray | 4L6R | 4L6R_refined | 3.3 | A | Inactive | 5 | 61 | - | - | - | - | BRIL | - | - | - | - | glucagon | peptide | No | No | Siu FY, He M, de Graaf C, Han GW, Yang D, Zhang Z, Zhou C, Xu Q, Wacker D, Joseph JS, Liu W, Lau J, Cherezov V, Katritch V, Wang MW, Stevens RC | 10.1038/nature12393 | 2013-07-24 | Yes | |
CCR5 | CCR5 | Chemokine | A | Human | X-ray | 4MBS | 4MBS_refined | 2.7 | A | Inactive | 14 | 83 | - | - | - | - | Rubredoxin | - |
maraviroc
PubChem
Guide To Pharmacology
DrugBank
ChEMBL_compound_ids
Guide To Pharmacology
|
small-molecule | Antagonist | CCL5, CCL8, CCL2, CCL16, CCL4, CCL3, CCL14, CCL11, CCL13, CCL7 | peptide | No | No | Tan Q, Zhu Y, Li J, Chen Z, Han GW, Kufareva I, Li T, Ma L, Fenalti G, Li J, Zhang W, Xie X, Yang H, Jiang H, Cherezov V, Liu H, Stevens RC, Zhao Q, Wu B | 10.1126/SCIENCE.1241475 | 2013-09-11 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4J4Q | 4J4Q_refined | 2.7 | A | Active | 100 | 94 | Gi/o | αt1 | Only H5 | 3 | - | - |
B-Octylglucoside
PubChem
|
small-molecule | unknown | - | - | No | No | Park JH, Morizumi T, Li Y, Hong JE, Pai EF, Hofmann KP, Choe HW, Ernst OP | 10.1002/ANIE.201302374 | 2013-10-30 | Yes | |
OPRD | δ | Opioid | A | Human | X-ray | 4N6H | 4N6H_refined | 1.8 | A | Inactive | 5 | 81 | - | - | - | - | BRIL | - |
naltrindole
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
|
small-molecule | Antagonist | endomorphin-1, dynorphin B, [Leu]enkephalin, dynorphin A-(1-8), dynorphin A, β-endorphin, dynorphin A-(1-13) | peptide | Yes | Yes | Fenalti G, Giguere PM, Katritch V, Huang XP, Thompson AA, Cherezov V, Roth BL, Stevens RC | 10.1038/NATURE12944 | 2013-12-25 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4BV0 | - | 3.1 | A | Inactive | 2 | 70 | - | - | - | - | - | - |
neurotensin
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
Guide To Pharmacology
|
peptide | Agonist | neuromedin N, neurotensin | peptide | Yes | No | Egloff P, Hillenbrand M, Klenk C, Batyuk A, Heine P, Balada S, Schlinkmann KM, Scott DJ, Schutz M, Pluckthun A | 10.1073/PNAS.1317903111 | 2014-01-29 | No | |
P2Y12 | P2Y12 | P2Y | A | Human | X-ray | 4NTJ | 4NTJ_refined | 2.6 | A | Intermediate | 39 | 78 | - | - | - | - | BRIL | - |
AZD1283
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | ADP, ATP | small-molecule | Yes | No | Zhang K, Zhang J, Gao ZG, Zhang D, Zhu L, Han GW, Moss SM, Paoletta S, Kiselev E, Lu W, Fenalti G, Zhang W, Muller CE, Yang H, Jiang H, Cherezov V, Katritch V, Jacobson KA, Stevens RC, Wu B, Zhao Q | 10.1038/NATURE13083 | 2014-03-26 | Yes | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | X-ray | 4OO9 | 4OO9_refined | 2.6 | A | Inactive | 20 | 20 | - | - | - | - | T4-Lysozyme | - |
MAVOGLURANT
ChEMBL_compound_ids
PubChem
|
small-molecule | NAM | L-glutamic acid | small-molecule | No | No | Dore 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 | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 4QKX | 4QKX_refined | 3.3 | A | Active | 100 | 69 | - | - | - | - | T4-Lysozyme | Nanobody |
Q27453560
PubChem
|
small-molecule | Agonist | (-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Weichert D, Kruse AC, Manglik A, Hiller C, Zhang C, Hubner H, Kobilka BK, Gmeiner P | 10.1073/PNAS.1410415111 | 2014-07-23 | Yes | |
OPRD | δ | Opioid | A | Human | X-ray | 4RWA | 4RWA_refined | 3.3 | A | Inactive | 5 | 77 | - | - | - | - | BRIL | - |
DIPP-NH2
|
peptide | Antagonist | endomorphin-1, dynorphin B, [Leu]enkephalin, dynorphin A-(1-8), dynorphin A, β-endorphin, dynorphin A-(1-13) | 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 JC, 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, Tourwe D, Schiller PW, Roth BL, Ballet S, Katritch V, Stevens RC, Cherezov V | 10.1038/NSMB.2965 | 2015-01-14 | Yes | |
US28 | US28 | Unclassified | A | strain AD169 | X-ray | 4XT1 | 4XT1_refined | 2.9 | A | Active | 99 | 82 | - | - | - | - | - | Nanobody |
CX3CL1
Guide To Pharmacology
|
peptide | Agonist (partial) | - | - | Yes | No | Burg JS, Ingram JR, Venkatakrishnan AJ, Jude KM, Dukkipati A, Feinberg EN, Angelini A, Waghray D, Dror RO, Ploegh HL, Garcia KC | 10.1126/SCIENCE.AAA5026 | 2015-03-04 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 4UHR | 4UHR_refined | 2.6 | A | Active | 73 | 75 | - | - | - | - | - | - |
CGS 21680
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | Lebon G, Edwards PC, Leslie AG, Tate CG | 10.1124/mol.114.097360 | 2015-04-08 | Yes | |
LPAR1 | LPA1 | Lysophospholipid (LPA) | A | Human | X-ray | 4Z34 | 4Z34_refined | 3.0 | A | Inactive | 1 | 80 | - | - | - | - | BRIL | - |
ONO-9780307
PubChem
Guide To Pharmacology
|
small-molecule | Antagonist | 1-O-Oleoyl-D-glycerol 3-phosphoric acid | 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 | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4XEE | 4XEE_refined | 2.9 | A | Active | 84 | 71 | - | - | - | - | T4-Lysozyme | - |
neurotensin
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
Guide To Pharmacology
|
peptide | Agonist | neuromedin N, neurotensin | peptide | Yes | No | Krumm BE, White JF, Shah P, Grisshammer R | 10.1038/NCOMMS8895 | 2015-07-29 | Yes | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | X-ray | 5CGC | - | 3.1 | A | Inactive | 20 | 20 | - | - | - | - | T4-Lysozyme | - |
CHEMBL3603915
ChEMBL_compound_ids
PubChem
|
small-molecule | NAM | L-glutamic acid | small-molecule | No | No | Christopher JA, Aves SJ, Bennett KA, Dore AS, Errey JC, Jazayeri A, Marshall FH, Okrasa K, Serrano-Vega MJ, Tehan BG, Wiggin GR, Congreve M | 10.1021/ACS.JMEDCHEM.5B00892 | 2015-08-12 | Yes | |
AGTR1 | AT1 | Angiotensin | A | Human | X-ray | 4ZUD | 4ZUD_refined | 2.8 | A | Inactive | 5 | 75 | - | - | - | - | BRIL | - |
OLMESARTAN
ChEMBL_compound_ids
PubChem
|
small-molecule | Inverse agonist | angiotensin A, angiotensin IV, angiotensin II, 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 | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 5F8U | 5F8U_refined | 3.4 | A | Inactive | 0 | 57 | - | - | - | - | - | - |
(S)-Cyanopindolol
PubChem
|
small-molecule | Antagonist | - | - | Yes | No | Leslie AG, Warne T, Tate CG | 10.1038/NSMB.3130 | 2015-12-23 | Yes | |
OX1R | OX1 | Orexin | A | Human | X-ray | 4ZJC | 4ZJC_refined | 2.8 | A | Inactive | 1 | 72 | - | - | - | - | GlgA glycogen synthase | - |
SB-674042
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | orexin-B, orexin-A | 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 | |
GLR | glucagon | Glucagon | B1 | Human | X-ray | 5EE7 | 5EE7_refined | 2.5 | A | Inactive | 0 | 54 | - | - | - | - | T4-Lysozyme | - |
Octaethylene glycol monoethyl ether
PubChem
MK-0893 PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank |
small-molecule small-molecule |
Antagonist NAM |
glucagon | peptide | No | No | Jazayeri A, Dore AS, Lamb D, Krishnamurthy H, Southall SM, Baig AH, Bortolato A, Koglin M, Robertson NJ, Errey JC, Andrews SP, Teobald I, Brown AJ, Cooke RM, Weir M, Marshall FH | 10.1038/NATURE17414 | 2016-04-20 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5IU7 | 5IU7_refined | 1.9 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
2-(Furan-2-yl)-5-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-8-ium-5,7-diamine
PubChem
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Segala E, Guo D, Cheng RK, Bortolato A, Deflorian F, Dore AS, Errey JC, Heitman LH, IJzerman AP, Marshall FH, Cooke RM | 10.1021/acs.jmedchem.6b00653 | 2016-06-29 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5IUB | 5IUB_refined | 2.1 | A | Inactive | 1 | 71 | - | - | - | - | BRIL | - |
CHEMBL184061
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Segala E, Guo D, Cheng RK, Bortolato A, Deflorian F, Dore AS, Errey JC, Heitman LH, IJzerman AP, Marshall FH, Cooke RM | 10.1021/acs.jmedchem.6b00653 | 2016-06-29 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5G53 | 5G53_refined | 3.4 | A | Active | 100 | 68 | Gs | αs | Engineered G protein | 50 | - | - |
NECA
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | Carpenter B, Nehme R, Warne T, Leslie AG, Tate CG | 10.1038/NATURE18966 | 2016-08-03 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 5D6L | 5D6L_refined | 3.2 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Carazolol
PubChem
|
small-molecule | Inverse agonist | (-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Ma P, Weichert D, Aleksandrov LA, Jensen TJ, Riordan JR, Liu X, Kobilka BK, Caffrey M | 10.1038/NPROT.2017.057 | 2016-08-17 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5K2C | 5K2C_refined | 1.9 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Batyuk A, Galli L, Ishchenko A, Han GW, Gati C, Popov PA, Lee MY, Stauch B, White TA, Barty A, Aquila A, Hunter MS, Liang M, Boutet S, Pu M, Liu ZJ, Nelson G, James D, Li C, Zhao Y, Spence JC, Liu W, Fromme P, Katritch V, Weierstall U, Stevens RC, Cherezov V | 10.1126/SCIADV.1600292 | 2016-09-21 | Yes | |
CNR1 | CB1 | Cannabinoid | A | Human | X-ray | 5U09 | 5U09_refined | 2.6 | A | Inactive | 8 | 60 | - | - | - | - | Glycogen synthase | - |
taranabant
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Inverse agonist | anandamide, 2-arachidonoylglycerol | small-molecule | Yes | No | Shao Z, Yin J, Chapman K, Grzemska M, Clark L, Wang J, Rosenbaum DM | 10.1038/NATURE20613 | 2016-12-07 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5UIG | 5UIG_refined | 3.5 | A | Inactive | 17 | 70 | - | - | - | - | BRIL | - |
5-Amino-N-[(2-Methoxyphenyl)methyl]-2-(3-Methylphenyl)-2h-1,2,3-Triazole-4-Carboximidamide
PubChem
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Sun B, Bachhawat P, Chu ML, Wood M, Ceska T, Sands ZA, Mercier J, Lebon F, Kobilka TS, Kobilka BK | 10.1073/PNAS.1621423114 | 2017-02-08 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 5TE5 | 5TE5_refined | 4.0 | A | Inactive | 24 | 100 | - | - | - | - | - | - |
10,20-Methanoretinal
PubChem
|
small-molecule | Agonist | - | - | No | No | - | - | 2017-03-15 | Yes | |
AGTR2 | AT2 | Angiotensin | A | Human | X-ray | 5UNH | 5UNH_refined | 2.9 | B | Active | 99 | 75 | - | - | - | - | BRIL | - |
compound 2 [PMID: 28379944]
PubChem
Guide To Pharmacology
|
small-molecule | Antagonist | angiotensin-(1-7), angiotensin II, angiotensin III | peptide | Yes | No | Zhang H, Han GW, Batyuk A, Ishchenko A, White KL, Patel N, Sadybekov A, Zamlynny B, Rudd MT, Hollenstein K, Tolstikova A, White TA, Hunter MS, Weierstall U, Liu W, Babaoglu K, Moore EL, Katz RD, Shipman JM, Garcia-Calvo M, Sharma S, Sheth P, Soisson SM, Stevens RC, Katritch V, Cherezov V | 10.1038/NATURE22035 | 2017-04-05 | Yes | |
GLP1R | GLP-1 | Glucagon | B1 | Human | X-ray | 5VEX | 5VEX_refined | 3.0 | B | Inactive | 0 | 57 | - | - | - | - | T4-Lysozyme | - |
NNC0640
PubChem
Guide To Pharmacology
|
small-molecule | NAM | glucagon-like peptide 1-(7-36) amide, glucagon-like peptide 1-(7-37), glucagon | 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 ZJ, Wang MW, Stevens RC | 10.1038/NATURE22378 | 2017-05-17 | Yes | |
G1SGD4 | GLP-1 | Glucagon | B1 | Rabbit | cryo-EM | 5VAI | 5VAI_refined | 4.1 | R | Active | 100 | 84 | Gs | αs | - | 59 | - | - |
GLP-1
PubChem
PubChem
ChEMBL_compound_ids
|
small-molecule | Agonist | - | - | No | No | Zhang Y, Sun B, Feng D, Hu H, Chu M, Qu Q, Tarrasch JT, Li S, Sun Kobilka T, Kobilka BK, Skiniotis G | 10.1038/NATURE22394 | 2017-05-24 | Yes | |
APJ | apelin | Apelin | A | Human | X-ray | 5VBL | 5VBL_refined | 2.6 | B | Inactive | 5 | 79 | - | - | - | - | Rubredoxin | - |
AMG3054
Guide To Pharmacology
|
peptide | Agonist | apelin-36, apelin-17, apelin-13, Elabela/Toddler-11, [Pyr1]apelin-13, Elabela/Toddler-21, Elabela/Toddler-32, 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 | |
CCR5 | CCR5 | Chemokine | A | Human | X-ray | 5UIW | 5UIW_refined | 2.2 | A | Inactive | 14 | 85 | - | - | - | - | Rubredoxin | - |
5P7-CCL5
|
protein | Antagonist | CCL5, CCL8, CCL2, CCL16, CCL4, CCL3, CCL14, CCL11, CCL13, CCL7 | peptide | 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 | |
AA1R | A1 | Adenosine | A | Human | X-ray | 5N2S | 5N2S_refined | 3.3 | A | Inactive | 1 | 86 | - | - | - | - | BRIL | - |
PSB36
PubChem
|
small-molecule | Agonist | adenosine | small-molecule | Yes | No | Cheng RKY, Segala E, Robertson N, Deflorian F, Dore AS, Errey JC, Fiez-Vandal C, Marshall FH, Cooke RM | 10.1016/j.str.2017.06.012 | 2017-07-26 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 5X7D | 5X7D_refined | 2.7 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide
PubChem
Carazolol PubChem |
small-molecule small-molecule |
Allosteric antagonist Antagonist |
(-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Liu X, Ahn S, Kahsai AW, Meng KC, Latorraca NR, Pani B, Venkatakrishnan AJ, Masoudi A, Weis WI, Dror RO, Chen X, Lefkowitz RJ, Kobilka BK | 10.1038/NATURE23652 | 2017-08-16 | Yes | |
Q08BG4 | LPA6 | Lysophospholipid (LPA) | A | Zebrafish | X-ray | 5XSZ | 5XSZ_refined | 3.2 | A | Intermediate | 39 | 78 | - | - | - | - | T4-Lysozyme | - | - | - | - | - | - | 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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5NM4 | 5NM4_refined | 1.7 | A | Inactive | 1 | 73 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Weinert T, Olieric N, Cheng R, Brunle S, James D, Ozerov D, Gashi D, Vera L, Marsh M, Jaeger K, Dworkowski F, Panepucci E, Basu S, Skopintsev P, Dore AS, Geng T, Cooke RM, Liang M, Prota AE, Panneels V, Nogly P, Ermler U, Schertler G, Hennig M, Steinmetz MO, Wang M, Standfuss J | 10.1038/S41467-017-00630-4 | 2017-09-27 | Yes | |
OX2R | OX2 | Orexin | A | Human | X-ray | 5WQC | 5WQC_refined | 2.0 | A | Inactive | 1 | 68 | - | - | - | - | Glycogen synthase | - |
EMPA
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | orexin-B, orexin-A | 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 | |
Q9WTK1 | BLT1 | Leukotriene | A | Guinea pig | X-ray | 5X33 | 5X33_refined | 3.7 | A | Inactive | 5 | 78 | - | - | - | - | T4-Lysozyme | - |
BIIL 260
PubChem
Guide To Pharmacology
|
small-molecule | Antagonist | - | - | 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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5OLH | 5OLH_refined | 2.6 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
vipadenant
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Dore AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5OM1 | 5OM1_refined | 2.1 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
CHEMBL2024114
ChEMBL_compound_ids
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, Dore AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
5HT1B | 5-HT1B | 5-Hydroxytryptamine | A | Human | X-ray | 5V54 | 5V54_refined | 3.9 | A | Inactive | 83 | 71 | - | - | - | - | BRIL | - |
CHEMBL428892
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | 5-HT-moduline, tryptamine, 5-hydroxytryptamine | small-molecule | Yes | No | - | - | 2018-02-07 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5WF6 | 5WF6_refined | 2.9 | A | Active | 73 | 68 | - | - | - | - | T4-Lysozyme | - |
UK-432,097
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Agonist | adenosine | small-molecule | No | No | White KL, Eddy MT, Gao ZG, Han GW, Lian T, Deary A, Patel N, Jacobson KA, Katritch V, Stevens RC | 10.1016/J.STR.2017.12.013 | 2018-02-21 | Yes | |
DRD2 | D2 | Dopamine | A | Human | X-ray | 6CM4 | 6CM4_refined | 2.9 | A | Inactive | 1 | 59 | - | - | - | - | T4-Lysozyme | - |
risperidone
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
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 | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 6FK8 | 6FK8_refined | 2.9 | A | Active | 99 | 94 | - | - | - | - | - | - |
(2~{R},3~{S})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
PubChem
|
small-molecule | Agonist | - | - | No | No | Mattle D, Kuhn B, Aebi J, Bedoucha M, Kekilli D, Grozinger N, Alker A, Rudolph MG, Schmid G, Schertler GFX, Hennig M, Standfuss J, Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 6FKC | 6FKC_refined | 2.5 | A | Active | 99 | 94 | - | - | - | - | - | - |
3-[1'-[(2~{S})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid
PubChem
|
small-molecule | Agonist | - | - | No | No | Mattle D, Kuhn B, Aebi J, Bedoucha M, Kekilli D, Grozinger N, Alker A, Rudolph MG, Schmid G, Schertler GFX, Hennig M, Standfuss J, Dawson RJP | 10.1073/PNAS.1718084115 | 2018-04-04 | Yes | |
FFAR1 | FFA1 | Free fatty acid | A | Human | X-ray | 5KW2 | 5KW2_refined | 2.8 | A | Intermediate | 50 | 82 | - | - | - | - | T4-Lysozyme | - |
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid
PubChem
|
small-molecule | Allosteric agonist | myristic acid, α-linolenic acid, oleic acid, docosahexaenoic acid | small-molecule | No | No | Ho JD, Chau B, Rodgers L, Lu F, Wilbur KL, Otto KA, Chen Y, Song M, Riley JP, Yang HC, Reynolds NA, Kahl SD, Lewis AP, Groshong C, Madsen RE, Conners K, Lineswala JP, Gheyi T, Saflor MD, Lee MR, Benach J, Baker KA, Montrose-Rafizadeh C, Genin MJ, Miller AR, Hamdouchi C | 10.1038/S41467-017-01240-W | 2018-05-02 | Yes | |
C5AR1 | C5a1 | Complement peptide | A | Human | X-ray | 6C1Q | - | 2.9 | B | Inactive | 7 | 82 | - | - | - | - | BRIL | - |
PMX53
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
NDT9513727 PubChem Guide To Pharmacology ChEMBL_compound_ids |
peptide small-molecule |
Antagonist NAM |
C5a des-Arg, C5a, ribosomal protein S19, C3a | peptide | Yes | No | Liu H, Kim HR, Deepak RNVK, Wang L, Chung KY, Fan H, Wei Z, Zhang C | 10.1038/S41594-018-0067-Z | 2018-05-30 | Yes | |
Q80KM9 | US28 | Unclassified | A | strain AD169 | X-ray | 5WB1 | 5WB1_refined | 3.5 | A | Active | 99 | 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 | |
OPRM | μ | Opioid | A | Mouse | cryo-EM | 6DDF | 6DDF_refined | 3.5 | R | Active | 100 | 71 | Gi/o | αi1 | - | 61 | - | - |
DAMGO
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
ChEMBL_compound_ids
|
peptide | Agonist | - | - | Yes | No | Koehl A, Hu H, Maeda S, Zhang Y, Qu Q, Paggi JM, Latorraca NR, Hilger D, Dawson R, Matile H, Schertler GFX, Granier S, Weis WI, Dror RO, Manglik A, Skiniotis G, Kobilka BK | 10.1038/S41586-018-0219-7 | 2018-06-13 | Yes | |
5HT1B | 5-HT1B | 5-Hydroxytryptamine | A | Human | cryo-EM | 6G79 | 6G79_refined | 3.8 | S | Active | 100 | 67 | Gi/o | αo | - | 59 | - | - |
donitriptan
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Agonist | 5-HT-moduline, tryptamine, 5-hydroxytryptamine | small-molecule | Yes | No | Garcia-Nafria J, Nehme R, Edwards PC, Tate CG | 10.1038/S41586-018-0241-9 | 2018-06-20 | Yes | |
5HT2B | 5-HT2B | 5-Hydroxytryptamine | A | Human | X-ray | 6DRY | 6DRY_refined | 2.9 | A | Intermediate | 39 | 60 | - | - | - | - | BRIL | - |
methylergonovine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Agonist | 5-hydroxytryptamine | small-molecule | Yes | No | McCorvy JD, Wacker D, Wang S, Agegnehu B, Liu J, Lansu K, Tribo AR, Olsen RHJ, Che T, Jin J, Roth BL | 10.1038/s41594-018-0116-7 | 2018-08-29 | Yes | |
PD2R2 | DP2 | Prostanoid | A | Human | X-ray | 6D26 | 6D26_refined | 2.8 | A | Inactive | 20 | 82 | - | - | - | - | T4-Lysozyme | - |
fevipiprant
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | thromboxane A2, PGJ2, PGE2, PGI2, PGF2α, PGD3, PGD2 | small-molecule | Yes | No | Wang L, Yao D, Deepak RNVK, Liu H, Xiao Q, Fan H, Gong W, Wei Z, Zhang C | 10.1016/J.MOLCEL.2018.08.009 | 2018-10-03 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 6H7J | 6H7J_refined | 2.8 | A | Active | 100 | 60 | - | - | - | - | Thioredoxin 1 | Camelid antibody fragment Nb80 |
(R)-Isoproterenol
PubChem
ChEMBL_compound_ids
|
small-molecule | Agonist | - | - | Yes | No | Warne T, Edwards PC, Dore AS, Leslie AGW, Tate CG | 10.1126/SCIENCE.AAU5595 | 2018-10-17 | Yes | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 6H7N | 6H7N_refined | 2.5 | A | Active | 100 | 60 | - | - | - | - | Thioredoxin 1 | Camelid antibody fragment Nb6B9 |
(S)-Xamoterol
PubChem
|
small-molecule | Agonist | - | - | Yes | No | - | 10.1101/436212 | 2018-10-17 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 6MXT | 6MXT_refined | 3.0 | A | Active | 100 | 69 | - | - | - | - | T4-Lysozyme | Nanobody-71 |
salmeterol
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Agonist | (-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Masureel M, Zou Y, Picard LP, van der Westhuizen E, Mahoney JP, Rodrigues JPGLM, Mildorf TJ, Dror RO, Shaw DE, Bouvier M, Pardon E, Steyaert J, Sunahara RK, Weis WI, Zhang C, Kobilka BK | 10.1038/s41589-018-0145-x | 2018-11-14 | Yes | |
EDNRB | ETB | Endothelin | A | Human | X-ray | 6IGK | 6IGK_refined | 2.0 | A | Inactive | 5 | 70 | - | - | - | - | T4-Lysozyme | - |
endothelin-3
PubChem
Guide To Pharmacology
|
peptide | Agonist | endothelin-3, endothelin-2, endothelin-1 | peptide | Yes | No | Shihoya W, Izume T, Inoue A, Yamashita K, Kadji FMN, Hirata K, Aoki J, Nishizawa T, Nureki O | 10.1038/S41467-018-07094-0 | 2018-11-21 | Yes | |
PE2R4 | EP4 | Prostanoid | A | Human | X-ray | 5YHL | 5YHL_refined | 4.2 | A | Inactive | 10 | 57 | - | - | - | - | - | Fab |
ONO-AE3-208-Br
PubChem
|
small-molecule | Antagonist | thromboxane A2, PGE1, PGE2, PGI2, PGF2α, PGD2 | 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 | |
NK1R | NK1 | Tachykinin | A | Human | X-ray | 6E59 | 6E59_refined | 3.4 | A | Inactive | 1 | 70 | - | - | - | - | GlgA glycogen synthase | - |
L760735
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | neuropeptide-γ, substance P, neuropeptide K, hemokinin 1, neurokinin A, neurokinin B | peptide | Yes | No | Yin J, Chapman K, Clark LD, Shao Z, Borek D, Xu Q, Wang J, Rosenbaum DM | 10.1073/PNAS.1812717115 | 2018-12-12 | Yes | |
TA2R | TP | Prostanoid | A | Human | X-ray | 6IIV | 6IIV_refined | 3.0 | A | Intermediate | 50 | 87 | - | - | - | - | Rubredoxin | - |
daltroban
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | thromboxane A2, PGE2, PGI2, PGF2α, PGH2, PGD2 | 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 | |
CCR2 | CCR2 | Chemokine | A | Human | X-ray | 6GPX | 6GPX_refined | 2.7 | B | Inactive | 14 | 70 | - | - | - | - | Rubredoxin | - |
MK-0812
PubChem
|
small-molecule | Antagonist | CCL8, CCL2, CCL16, CCL24, CCL26, CCL11, CCL13, CCL7 | peptide | No | No | Apel AK, Cheng RKY, Tautermann CS, Brauchle M, Huang CY, Pautsch A, Hennig M, Nar H, Schnapp G | 10.1016/J.STR.2018.10.027 | 2019-01-02 | Yes | |
NK1R | NK1 | Tachykinin | A | Human | X-ray | 6HLL | 6HLL_refined | 3.3 | A | Inactive | 1 | 67 | - | - | - | - | GlgA glycogen synthase | - |
CP 99994
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | neuropeptide-γ, substance P, neuropeptide K, hemokinin 1, neurokinin A, neurokinin B | peptide | Yes | No | Schoppe J, Ehrenmann J, Klenk C, Rucktooa P, Schutz M, Dore AS, Pluckthun A | 10.1038/S41467-018-07939-8 | 2019-01-16 | Yes | |
NK1R | NK1 | Tachykinin | A | Human | X-ray | 6HLO | 6HLO_refined | 2.4 | A | Inactive | 1 | 70 | - | - | - | - | GlgA glycogen synthase | - |
aprepitant
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
PubChem
|
small-molecule | Antagonist | neuropeptide-γ, substance P, neuropeptide K, hemokinin 1, neurokinin A, neurokinin B | peptide | Yes | No | Schoppe J, Ehrenmann J, Klenk C, Rucktooa P, Schutz M, Dore AS, Pluckthun A | 10.1038/S41467-018-07939-8 | 2019-01-16 | Yes | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | cryo-EM | 6N52 | 6N52_refined | 4.0 | A | Inactive | 29 | 64 | - | - | - | - | - | Nanobody-43 | - | - | - | L-glutamic acid | small-molecule | No | No | - | - | 2019-01-23 | Yes | |
CALCR | CT | Calcitonin | B1 | Human | cryo-EM | 6NIY | 6NIY_refined | 3.3 | R | Active | 100 | 55 | Gs | αs | - | 43 | - | - |
Calcitonin salmon
PubChem
|
peptide | Agonist | amylin, α-CGRP, adrenomedullin, calcitonin, adrenomedullin 2/intermedin, calcitonin (salmon), β-CGRP | peptide | No | No | Dal Maso E, Glukhova A, Zhu Y, Garcia-Nafria J, Tate CG, Atanasio S, Reynolds CA, Ramirez-Aportela E, Carazo JM, Hick CA, Furness SGB, Hay DL, Liang YL, Miller LJ, Christopoulos A, Wang MW, Wootten D, Sexton PM | 10.1021/ACSPTSCI.8B00056 | 2019-01-23 | Yes | |
CNR1 | CB1 | Cannabinoid | A | Human | cryo-EM | 6N4B | 6N4B_refined | 3.0 | R | Active | 100 | 58 | Gi/o | αi1 | - | 62 | - | scFv16 |
MDMB-Fubinaca
PubChem
Guide To Pharmacology
|
small-molecule | Agonist | anandamide, 2-arachidonoylglycerol | 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 | |
5HT2A | 5-HT2A | 5-Hydroxytryptamine | A | Human | X-ray | 6A94 | 6A94_refined | 2.9 | A | Inactive | 1 | 60 | - | - | - | - | BRIL | - |
zotepine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Drug Central
DrugBank
|
small-molecule | Antagonist | tryptamine, 5-hydroxytryptamine | 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 | |
PTH1R | PTH1 | Parathyroid hormone | B1 | 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, PTHrP-(1-36), PTH | peptide | No | No | Zhao LH, Ma S, Sutkeviciute I, Shen DD, Zhou XE, de Waal PW, Li CY, 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 MW, Vilardaga JP, Xu HE, Zhang Y | 10.1126/SCIENCE.AAV7942 | 2019-04-17 | Yes | |
PTH1R | PTH1 | Parathyroid hormone | B1 | 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, PTHrP-(1-36), PTH | peptide | No | No | Zhao LH, Ma S, Sutkeviciute I, Shen DD, Zhou XE, de Waal PW, Li CY, 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 MW, Vilardaga JP, Xu HE, Zhang Y | 10.1126/SCIENCE.AAV7942 | 2019-04-17 | Yes | |
MTR1A | MT1 | Melatonin | A | Human | X-ray | 6ME4 | 6ME4_refined | 3.2 | A | Inactive | 1 | 83 | - | - | - | - | GlgA glycogen synthase | - |
2-iodo-melatonin
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Agonist | melatonin | small-molecule | No | No | Stauch B, Johansson LC, McCorvy JD, Patel N, Han GW, Huang XP, 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 | |
MTR1B | MT2 | Melatonin | A | Human | X-ray | 6ME6 | 6ME6_refined | 2.8 | B | Inactive | 1 | 78 | - | - | - | - | Rubredoxin | - |
2-phenylmelatonin
PubChem
|
small-molecule | Agonist | melatonin | small-molecule | No | No | Johansson LC, Stauch B, McCorvy JD, Han GW, Patel N, Huang XP, Batyuk A, Gati C, Slocum ST, Li C, Grandner JM, Hao S, Olsen RHJ, Tribo AR, Zaare S, Zhu L, Zatsepin NA, Weierstall U, Yous S, Stevens RC, Liu W, Roth BL, Katritch V, Cherezov V | 10.1038/S41586-019-1144-0 | 2019-04-24 | Yes | |
MTR1B | MT2 | Melatonin | A | Human | X-ray | 6ME8 | 6ME8_refined | 3.1 | B | Inactive | 1 | 78 | - | - | - | - | Rubredoxin | - |
2-phenylmelatonin
PubChem
|
small-molecule | Agonist | melatonin | small-molecule | Yes | No | Johansson LC, Stauch B, McCorvy JD, Han GW, Patel N, Huang XP, Batyuk A, Gati C, Slocum ST, Li C, Grandner JM, Hao S, Olsen RHJ, Tribo AR, Zaare S, Zhu L, Zatsepin NA, Weierstall U, Yous S, Stevens RC, Liu W, Roth BL, Katritch V, Cherezov V | 10.1038/S41586-019-1144-0 | 2019-04-24 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 6MH8 | 6MH8_refined | 4.2 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Martin-Garcia JM, Zhu L, Mendez D, Lee MY, Chun E, Li C, Hu H, Subramanian G, Kissick D, Ogata C, Henning R, Ishchenko A, Dobson Z, Zhang S, Weierstall U, Spence JCH, Fromme P, Zatsepin NA, Fischetti RF, Cherezov V, Liu W | 10.1107/S205225251900263X | 2019-04-24 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | cryo-EM | 6OIK | 6OIK_refined | 3.6 | R | Active | 100 | 60 | Gi/o | αo | - | 61 | - | - |
iperoxo
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
LY2119620 PubChem Guide To Pharmacology ChEMBL_compound_ids |
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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 6GT3 | 6GT3_refined | 2.0 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
imaradenant
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | - | - | 2019-06-26 | Yes | |
B1B1U5 | Rhodopsin | Opsins | A | Hasarius adansoni | X-ray | 6I9K | 6I9K_refined | 2.2 | A | Inactive | 14 | 83 | - | - | - | - | - | - |
Retinal (11-cis)
PubChem
|
small-molecule | Inverse agonist | - | - | Yes | No | Varma N, Mutt E, Muhle J, Panneels V, Terakita A, Deupi X, Nogly P, Schertler GFX, Lesca E | 10.1073/PNAS.1902192116 | 2019-07-03 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | cryo-EM | 6QNO | 6QNO_refined | 4.4 | R | Active | 100 | 96 | Gi/o | αi1 | - | 60 | - | Fab antibody fragment light chain Fab antibody fragment heavy chain |
Retinal (all-trans)
PubChem
|
small-molecule | Agonist | - | - | No | No | Tsai CJ, Marino J, Adaixo R, Pamula F, Muehle J, Maeda S, Flock T, Taylor NM, Mohammed I, Matile H, Dawson RJ, Deupi X, Stahlberg H, Schertler G | 10.7554/ELIFE.46041 | 2019-07-10 | Yes | |
SUCR1 | succinate | Succinate | A | Rat | X-ray | 6RNK | 6RNK_refined | 1.9 | A | Intermediate | 39 | 90 | - | - | - | - | - | Nanobody-6 |
NF-56-EJ40
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | - | - | 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 VP | 10.1038/S41586-019-1663-8 | 2019-08-14 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | cryo-EM | 6OFJ | 6OFJ_refined | 4.5 | A | Inactive | 24 | 93 | - | - | - | - | - | - |
Apo (no ligand)
|
none | Apo (no ligand) | - | - | No | No | Zhao DY, Poge 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 | |
CLTR1 | CysLT1 | Leukotriene | A | Human | X-ray | 6RZ4 | 6RZ4_refined | 2.7 | A | Intermediate | 39 | 85 | - | - | - | - | BRIL | - |
pranlukast
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Antagonist | LTD4, LTE4, LTC4 | small-molecule | Yes | Yes | Luginina A, Gusach A, Marin E, Mishin A, Brouillette R, Popov P, Shiriaeva A, Besserer-Offroy E, Longpre JM, 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 | |
GLP1R | GLP-1 | Glucagon | B1 | Human | X-ray | 6KK7 | 6KK7_refined | 3.1 | B | Inactive | 0 | 56 | - | - | - | - | T4-Lysozyme | - |
PF-06372222
PubChem
|
small-molecule | NAM | glucagon-like peptide 1-(7-36) amide, glucagon-like peptide 1-(7-37), glucagon | peptide | No | No | Xu Y, Wang Y, Wang Y, Liu K, Peng Y, Yao D, Tao H, Liu H, Song G | 10.1107/S2052252519013496 | 2019-11-13 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 6PS2 | 6PS2_refined | 2.4 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
CHEMBL1160734
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | (-)-adrenaline, L-NOREPINEPHRINE, 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 | Human | X-ray | 6PS6 | 6PS6_refined | 2.7 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
timolol
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Antagonist | (-)-adrenaline, L-NOREPINEPHRINE, 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 | |
DRD4 | D4 | Dopamine | A | Mouse | X-ray | 6IQL | 6IQL_refined | 3.5 | A | Inactive | 83 | 65 | - | - | - | - | BRIL | - |
L745870
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | - | - | Yes | No | Zhou Y, Cao C, He L, Wang X, Zhang XC | 10.7554/ELIFE.48822 | 2019-12-04 | Yes | |
ADA2A | α2A | Adrenoceptors | A | Human | X-ray | 6KUY | 6KUY_refined | 3.2 | A | Inactive | 1 | 56 | - | - | - | - | BRIL | - |
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole
PubChem
|
small-molecule | Agonist (partial) | (-)-noradrenaline, (-)-adrenaline | small-molecule | Yes | No | - | - | 2019-12-04 | Yes | |
OPRD | δ | Opioid | A | Human | X-ray | 6PT3 | 6PT3_refined | 3.3 | A | Active | 73 | 78 | - | - | - | - | BRIL | - |
DPI-287
PubChem
|
small-molecule | Agonist | endomorphin-1, dynorphin B, [Leu]enkephalin, dynorphin A-(1-8), dynorphin A, β-endorphin, dynorphin A-(1-13) | 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 ZJ, Muller CE, Stevens RC | 10.1126/SCIADV.AAX9115 | 2019-12-11 | Yes | |
CLTR2 | CysLT2 | Leukotriene | A | Human | X-ray | 6RZ9 | 6RZ9_refined | 2.7 | A | Intermediate | 39 | 81 | - | - | - | - | BRIL | - |
ONO-2770372
PubChem
|
small-molecule | Antagonist | LTD4, LTE4, LTC4 | small-molecule | No | No | Gusach A, Luginina A, Marin E, Brouillette RL, Besserer-Offroy E, Longpre JM, 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 | |
OX1R | OX1 | Orexin | A | Human | X-ray | 6TP4 | 6TP4_refined | 3.0 | A | Inactive | 1 | 70 | - | - | - | - | - | - |
ACT-462206
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Dore 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 | Human | X-ray | 6TPN | 6TPN_refined | 2.6 | A | Inactive | 1 | 71 | - | - | - | - | GlgA glycogen synthase | - |
HTL6641
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Dore 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 | Human | X-ray | 6TQ7 | 6TQ7_refined | 2.7 | A | Inactive | 1 | 71 | - | - | - | - | - | - |
SB-334867
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Dore 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 | Human | X-ray | 6TOS | 6TOS_refined | 2.1 | B | Inactive | 1 | 72 | - | - | - | - | - | - |
CHEMBL2413522
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | No | No | Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Dore 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 | |
PACR | PAC1 | VIP and PACAP | B1 | Human | cryo-EM | 6P9Y | 6P9Y_refined | 3.0 | R | Active | 100 | 55 | Gs | αs | - | 49 | - | Nanobody-35 |
CHEMBL524658
ChEMBL_compound_ids
PubChem
|
protein | Agonist | PACAP-27, VIP, PACAP-38, PHI, PHM, PHV | peptide | No | No | Liang YL, 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 | |
CNR1 | CB1 | Cannabinoid | A | Human | cryo-EM | 6KPG | 6KPG_refined | 3.0 | R | Active | 100 | 60 | Gi/o | αi1 | - | 64 | - | scFv16 |
AM841
PubChem
Guide To Pharmacology
|
small-molecule | Agonist | anandamide, 2-arachidonoylglycerol | small-molecule | Yes | No | Hua T, Li X, Wu L, Iliopoulos-Tsoutsouvas C, Wang Y, Wu M, Shen L, Brust CA, Nikas SP, Song F, Song X, Yuan S, Sun Q, Wu Y, Jiang S, Grim TW, Benchama O, Stahl EL, Zvonok N, Zhao S, Bohn LM, Makriyannis A, Liu ZJ | 10.1016/J.CELL.2020.01.008 | 2020-02-12 | Yes | |
AGTR1 | AT1 | Angiotensin | A | Human | X-ray | 6OS0 | 6OS0_refined | 2.9 | A | Active | 93 | 85 | - | - | - | - | BRIL | Nanobody-Nb.AT110i1 |
Angiotensinogen
PubChem
|
peptide | Agonist | angiotensin A, angiotensin IV, angiotensin II, angiotensin III | peptide | Yes | No | Wingler LM, Skiba MA, McMahon C, Staus DP, Kleinhenz ALW, Suomivuori CM, Latorraca NR, Dror RO, Lefkowitz RJ, Kruse AC | 10.1126/SCIENCE.AAY9813 | 2020-02-19 | Yes | |
AGTR1 | AT1 | Angiotensin | A | Human | X-ray | 6OS1 | 6OS1_refined | 2.8 | A | Active | 93 | 85 | - | - | - | - | BRIL | Nanobody-Nb.AT110i1_le |
TRV023
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
peptide | Agonist | angiotensin A, angiotensin IV, angiotensin II, angiotensin III | peptide | Yes | No | Wingler LM, Skiba MA, McMahon C, Staus DP, Kleinhenz ALW, Suomivuori CM, Latorraca NR, Dror RO, Lefkowitz RJ, Kruse AC | 10.1126/SCIENCE.AAY9813 | 2020-02-19 | Yes | |
GPR52 | GPR52 | A orphans | A | Human | X-ray | 6LI2 | 6LI2_refined | 2.8 | A | Intermediate | 35 | 80 | - | - | - | - | Rubredoxin | - | - | - | - | - | - | Yes | No | Lin X, Li M, Wang N, Wu Y, Luo Z, Guo S, Han GW, 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 | |
NTR1 | NTS1 | Neurotensin | A | Human | cryo-EM | 6UP7 | 6UP7_refined | 4.2 | R | Active | 99 | 77 | Beta | Beta-arrestin-1 | - | 83 | - | - |
JMV431
Guide To Pharmacology
ChEMBL_compound_ids
PubChem
|
peptide | Agonist | large neuromedin N, large neurotensin, neuromedin N, neurotensin | peptide | Yes | No | Huang W, Masureel M, Qu Q, Janetzko J, Inoue A, Kato HE, Robertson MJ, Nguyen KC, Glenn JS, Skiniotis G, Kobilka BK | 10.1038/S41586-020-1953-1 | 2020-02-26 | Yes | |
PACR | PAC1 | VIP and PACAP | B1 | Human | cryo-EM | 6LPB | 6LPB_refined | 3.9 | R | Active | 100 | 71 | Gs | αs | - | 57 | - | Nanobody-35 |
CHEMBL524658
ChEMBL_compound_ids
PubChem
|
protein | Agonist | PACAP-27, VIP, PACAP-38, PHI, PHM, PHV | peptide | No | No | Kobayashi K, Shihoya W, Nishizawa T, Kadji FMN, Aoki J, Inoue A, Nureki O | 10.1038/S41594-020-0386-8 | 2020-03-11 | Yes | |
FPR2 | FPR2/ALX | Formylpeptide | A | Human | X-ray | 6LW5 | 6LW5_refined | 2.8 | A | Active | 99 | 91 | - | - | - | - | BRIL | - |
WKYMVM
PubChem
ChEMBL_compound_ids
|
small-molecule | Agonist | aspirin triggered lipoxin A4, PrP106-126, humanin, LTC4, LTD4, 15-deoxy-LXA4, aspirin-triggered resolvin D1, fMet-Leu-Phe, LL-37, resolvin D1, ATLa2, annexin I, LXA4, serum amyloid A | peptide | Yes | No | Chen T, Xiong M, Zong X, Ge Y, Zhang H, Wang M, Won Han G, Yi C, Ma L, Ye RD, Xu Y, Zhao Q, Wu B | 10.1038/S41467-020-15009-1 | 2020-03-25 | Yes | |
GLR | glucagon | Glucagon | B1 | Human | cryo-EM | 6LMK | 6LMK_refined | 3.7 | R | Active | 100 | 83 | Gs | αs | - | 59 | - | Nanobody-35 |
glucagon
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
Guide To Pharmacology
PubChem
PubChem
PubChem
PubChem
|
peptide | Agonist | glucagon | peptide | No | No | Qiao A, Han S, Li X, Li Z, Zhao P, Dai A, Chang R, Tai L, Tan Q, Chu X, Ma L, Thorsen TS, Reedtz-Runge S, Yang D, Wang MW, Sexton PM, Wootten D, Sun F, Zhao Q, Wu B | 10.1126/SCIENCE.AAZ5346 | 2020-04-01 | Yes | |
ADA2B | α2B | Adrenoceptors | A | Human | cryo-EM | 6K41 | - | 2.9 | R | Active | 100 | 54 | Gi/o | αo | - | 60 | T4-Lysozyme | scFv |
dexmedetomidine
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Agonist | (-)-noradrenaline, (-)-adrenaline | small-molecule | Yes | No | Yuan D, Liu Z, Kaindl J, Maeda S, Zhao J, Sun X, Xu J, Gmeiner P, Wang HW, Kobilka BK | 10.1038/S41589-020-0492-2 | 2020-04-15 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 4LDE | 4LDE_refined | 2.8 | A | Active | 100 | 69 | - | - | - | - | T4-Lysozyme | Nanobody |
BI-167107
PubChem
|
small-molecule | Agonist | (-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Ring AM, Manglik A, Kruse AC, Enos MD, Weis WI, Garcia KC, Kobilka BK | 10.1038/NATURE12572 | 2013-09-25 | Yes | |
ACM2 | M2 | Acetylcholine (muscarinic) | A | Human | X-ray | 4MQS | 4MQS_refined | 3.5 | A | Active | 100 | 59 | - | - | - | - | - | Nanobody |
iperoxo
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Agonist | acetylcholine | small-molecule | Yes | No | Kruse AC, Ring AM, Manglik A, Hu J, Hu K, Eitel K, Hubner 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 | |
SMO | SMO | Frizzled | F | Human | X-ray | 4N4W | 4N4W_refined | 2.8 | A | Inactive | 0 | 44 | - | - | - | - | BRIL | - |
SANT-1
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | - | - | No | No | Wang C, Wu H, Evron T, Vardy E, Han GW, Huang XP, Hufeisen SJ, Mangano TJ, Urban DJ, Katritch V, Cherezov V, Caron MG, Roth BL, Stevens RC | 10.1038/NCOMMS5355 | 2014-01-22 | Yes | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4BWB | - | 3.6 | A | Inactive | 2 | 72 | - | - | - | - | - | - |
neurotensin
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
Guide To Pharmacology
|
peptide | Agonist | neuromedin N, neurotensin | peptide | Yes | No | Egloff P, Hillenbrand M, Klenk C, Batyuk A, Heine P, Balada S, Schlinkmann KM, Scott DJ, Schutz M, Pluckthun A | 10.1073/PNAS.1317903111 | 2014-01-29 | No | |
ADRB1 | β1 | Adrenoceptors | A | Wild turkey | X-ray | 4BVN | 4BVN_refined | 2.1 | A | Inactive | 0 | 60 | - | - | - | - | - | - |
(S)-Cyanopindolol
PubChem
|
small-molecule | Antagonist | - | - | Yes | Yes | Miller-Gallacher JL, Nehme R, Warne T, Edwards PC, Schertler GF, Leslie AG, Tate CG | 10.1371/JOURNAL.PONE.0092727 | 2014-04-02 | Yes | |
FFAR1 | FFA1 | Free fatty acid | A | Human | X-ray | 4PHU | 4PHU_refined | 2.3 | A | Intermediate | 50 | 90 | - | - | - | - | T4-Lysozyme | - |
fasiglifam
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Agonist | myristic acid, α-linolenic acid, oleic acid, docosahexaenoic acid | small-molecule | No | No | Srivastava A, Yano J, Hirozane Y, Kefala G, Gruswitz F, Snell G, Lane W, Ivetac A, Aertgeerts K, Nguyen J, Jennings A, Okada K | 10.1038/NATURE13494 | 2014-07-16 | Yes | |
OPSD | Rhodopsin | Opsins | A | Bovine | X-ray | 4PXF | 4PXF_refined | 2.8 | A | Active | 99 | 93 | Visual | S-arrestin | Fragment | 2 | - | - |
B-Octylglucoside
PubChem
|
small-molecule | unknown | - | - | No | No | Szczepek M, Beyriere F, Hofmann KP, Elgeti M, Kazmin R, Rose A, Bartl FJ, von Stetten D, Heck M, Sommer ME, Hildebrand PW, Scheerer P | 10.1038/NCOMMS5801 | 2014-09-17 | Yes | |
ACM3 | M3 | Acetylcholine (muscarinic) | A | Rat | X-ray | 4U16 | 4U16_refined | 3.7 | B | Inactive | 3 | 47 | - | - | - | - | T4-Lysozyme | - |
N-methyl scopolamine
PubChem
Guide To Pharmacology
DrugBank
Guide To Pharmacology
|
small-molecule | Antagonist | acetylcholine | small-molecule | Yes | No | Thorsen TS, Matt R, Weis WI, Kobilka BK | 10.1016/J.STR.2014.08.022 | 2014-11-26 | Yes | |
OX2R | OX2 | Orexin | A | Human | X-ray | 4S0V | 4S0V_refined | 2.5 | A | Inactive | 1 | 64 | - | - | - | - | Glycogen synthase | - |
suvorexant
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Drug Central
DrugBank
|
small-molecule | Antagonist | orexin-B, orexin-A | peptide | Yes | No | Yin J, Mobarec JC, Kolb P, Rosenbaum DM | 10.1038/NATURE14035 | 2015-01-14 | Yes | |
P2RY1 | P2Y1 | P2Y | A | Human | X-ray | 4XNV | 4XNV_refined | 2.2 | A | Intermediate | 39 | 78 | - | - | - | - | Rubredoxin | - |
BMS compound 16 [PMID:23368907]
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | NAM | ADP, ATP | small-molecule | Yes | No | Zhang D, Gao ZG, 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 | Human | X-ray | 4XNW | 4XNW_refined | 2.7 | A | Intermediate | 39 | 78 | - | - | - | - | Rubredoxin | - |
MRS2500
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | ADP, ATP | small-molecule | Yes | No | Zhang D, Gao ZG, 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 | |
LPAR1 | LPA1 | Lysophospholipid (LPA) | A | Human | X-ray | 4Z36 | 4Z36_refined | 2.9 | A | Inactive | 1 | 79 | - | - | - | - | BRIL | - |
ONO-3080573
PubChem
Guide To Pharmacology
|
small-molecule | Antagonist | 1-O-Oleoyl-D-glycerol 3-phosphoric acid | 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 | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 4XES | 4XES_refined | 2.6 | A | Active | 84 | 72 | - | - | - | - | T4-Lysozyme | - |
neurotensin
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
Guide To Pharmacology
|
peptide | Agonist | neuromedin N, neurotensin | peptide | Yes | No | Krumm BE, White JF, Shah P, Grisshammer R | 10.1038/NCOMMS8895 | 2015-07-29 | Yes | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | X-ray | 5CGD | - | 2.6 | A | Inactive | 20 | 20 | - | - | - | - | T4-Lysozyme | - |
CHEMBL3603923
ChEMBL_compound_ids
PubChem
|
small-molecule | NAM | L-glutamic acid | small-molecule | No | No | Christopher JA, Aves SJ, Bennett KA, Dore AS, Errey JC, Jazayeri A, Marshall FH, Okrasa K, Serrano-Vega MJ, Tehan BG, Wiggin GR, Congreve M | 10.1021/ACS.JMEDCHEM.5B00892 | 2015-08-12 | Yes | |
OPRX | NOP | Opioid | A | Human | X-ray | 5DHG | 5DHG_refined | 3.0 | A | Inactive | 5 | 76 | - | - | - | - | BRIL | - |
CHEMBL1783826
ChEMBL_compound_ids
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, Calo G, Katritch V, Stevens RC | 10.1016/J.STR.2015.07.024 | 2015-10-21 | Yes | |
ADRB2 | β2 | Adrenoceptors | A | Human | X-ray | 5D5A | 5D5A_refined | 2.5 | A | Inactive | 0 | 68 | - | - | - | - | T4-Lysozyme | - |
Carazolol
PubChem
|
small-molecule | Inverse agonist | (-)-adrenaline, L-NOREPINEPHRINE, noradrenaline, (-)-noradrenaline, Zn2+ | small-molecule | Yes | No | Huang CY, Olieric V, Ma P, Howe N, Vogeley L, Liu X, Warshamanage R, Weinert T, Panepucci E, Kobilka B, Diederichs K, Wang M, Caffrey M | 10.1107/S2059798315021683 | 2016-01-13 | Yes | |
ACM4 | M4 | Acetylcholine (muscarinic) | A | Human | X-ray | 5DSG | 5DSG_refined | 2.6 | B | Inactive | 3 | 60 | - | - | - | - | T4-Lysozyme | - |
tiotropium
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Guide To Pharmacology
|
small-molecule | Antagonist | acetylcholine | small-molecule | Yes | No | - | - | 2016-03-16 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5IU4 | 5IU4_refined | 1.7 | A | Inactive | 1 | 71 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Segala E, Guo D, Cheng RK, Bortolato A, Deflorian F, Dore AS, Errey JC, Heitman LH, IJzerman AP, Marshall FH, Cooke RM | 10.1021/acs.jmedchem.6b00653 | 2016-06-29 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5IUA | 5IUA_refined | 2.2 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
2-(Furan-2-yl)-5-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-8-ium-5,7-diamine
PubChem
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Segala E, Guo D, Cheng RK, Bortolato A, Deflorian F, Dore AS, Errey JC, Heitman LH, IJzerman AP, Marshall FH, Cooke RM | 10.1021/acs.jmedchem.6b00653 | 2016-06-29 | Yes | |
SMO | SMO | Frizzled | F | Human | X-ray | 5L7I | 5L7I_refined | 3.3 | B | Inactive | 4 | 59 | - | - | - | - | BRIL | - |
vismodegib
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Drug Central
|
small-molecule | Antagonist | - | - | 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 | |
EDNRB | ETB | Endothelin | A | Human | X-ray | 5GLI | 5GLI_refined | 2.5 | A | Inactive | 5 | 71 | - | - | - | - | T4-Lysozyme | - |
Apo (no ligand)
|
none | Apo (no ligand) | endothelin-3, endothelin-2, endothelin-1 | 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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5K2B | 5K2B_refined | 2.5 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Batyuk A, Galli L, Ishchenko A, Han GW, Gati C, Popov PA, Lee MY, Stauch B, White TA, Barty A, Aquila A, Hunter MS, Liang M, Boutet S, Pu M, Liu ZJ, Nelson G, James D, Li C, Zhao Y, Spence JC, Liu W, Fromme P, Katritch V, Weierstall U, Stevens RC, Cherezov V | 10.1126/SCIADV.1600292 | 2016-09-21 | Yes | |
CCR9 | CCR9 | Chemokine | A | Human | X-ray | 5LWE | - | 2.8 | B | Inactive | 57 | 67 | - | - | - | - | - | - |
vercirnon
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Allosteric antagonist | CCL25 | peptide | No | No | Oswald C, Rappas M, Kean J, Dore 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 | |
NTR1 | NTS1 | Neurotensin | A | Rat | X-ray | 5T04 | 5T04_refined | 3.3 | A | Active | 84 | 69 | - | - | - | - | T4-Lysozyme | - |
neurotensin
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
Guide To Pharmacology
Guide To Pharmacology
|
peptide | Agonist | neuromedin N, neurotensin | peptide | Yes | No | Krumm BE, Lee S, Bhattacharya S, Botos I, White CF, Du H, Vaidehi N, Grisshammer R | 10.1038/SREP38564 | 2016-12-21 | Yes | |
AGTR2 | AT2 | Angiotensin | A | Human | X-ray | 5UNF | 5UNF_refined | 2.8 | A | Active | 99 | 79 | - | - | - | - | BRIL | - |
compound 1 [PMID: 28379944]
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Antagonist | angiotensin-(1-7), angiotensin II, angiotensin III | peptide | Yes | No | Zhang H, Han GW, Batyuk A, Ishchenko A, White KL, Patel N, Sadybekov A, Zamlynny B, Rudd MT, Hollenstein K, Tolstikova A, White TA, Hunter MS, Weierstall U, Liu W, Babaoglu K, Moore EL, Katz RD, Shipman JM, Garcia-Calvo M, Sharma S, Sheth P, Soisson SM, Stevens RC, Katritch V, Cherezov V | 10.1038/NATURE22035 | 2017-04-05 | Yes | |
PAR2 | PAR2 | Proteinase-activated | A | Human | X-ray | 5NDZ | 5NDZ_refined | 3.6 | A | Intermediate | 39 | 74 | - | - | - | - | BRIL | - |
AZ3451
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Allosteric antagonist | - | - | Yes | Yes | Cheng RKY, Fiez-Vandal C, Schlenker O, Edman K, Aggeler B, Brown DG, Brown GA, Cooke RM, Dumelin CE, Dore AS, Geschwindner S, Grebner C, Hermansson NO, Jazayeri A, Johansson P, Leong L, Prihandoko R, Rappas M, Soutter H, Snijder A, Sundstrom L, Tehan B, Thornton P, Troast D, Wiggin G, Zhukov A, Marshall FH, Dekker N | 10.1038/NATURE22309 | 2017-05-03 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5UVI | 5UVI_refined | 3.2 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Martin-Garcia JM, Conrad CE, Nelson G, Stander N, Zatsepin NA, Zook J, Zhu L, Geiger J, Chun E, Kissick D, Hilgart MC, Ogata C, Ishchenko A, Nagaratnam N, Roy-Chowdhury S, Coe J, Subramanian G, Schaffer A, James D, Ketwala G, Venugopalan N, Xu S, Corcoran S, Ferguson D, Weierstall U, Spence JCH, Cherezov V, Fromme P, Fischetti RF, Liu W | 10.1107/S205225251700570X | 2017-05-24 | Yes | |
SMO | SMO | Frizzled | F | Human | X-ray | 5V57 | 5V57_refined | 3.0 | A | Inactive | 1 | 62 | - | - | - | - | Flavodoxin | - |
N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide
PubChem
|
small-molecule | Antagonist | - | - | No | No | Zhang X, Zhao F, Wu Y, Yang J, Han GW, Zhao S, Ishchenko A, Ye L, Lin X, Ding K, Dharmarajan V, Griffin PR, Gati C, Nelson G, Hunter MS, Hanson MA, Cherezov V, Stevens RC, Tan W, Tao H, Xu F | 10.1038/NCOMMS15383 | 2017-05-24 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5JTB | 5JTB_refined | 2.8 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Melnikov I, Polovinkin V, Kovalev K, Gushchin I, Shevtsov M, Shevchenko V, Mishin A, Alekseev A, Rodriguez-Valera F, Borshchevskiy V, Cherezov V, Leonard GA, Gordeliy V, Popov A | 10.1126/SCIADV.1602952 | 2017-05-31 | Yes | |
FFAR1 | FFA1 | Free fatty acid | A | Human | X-ray | 5TZY | 5TZY_refined | 3.2 | A | Intermediate | 50 | 91 | - | - | - | - | T4-Lysozyme | - |
MK-8666
PubChem
(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 |
small-molecule small-molecule |
Agonist PAM |
myristic acid, α-linolenic acid, oleic acid, docosahexaenoic 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 | |
CNR1 | CB1 | Cannabinoid | A | Human | X-ray | 5XRA | 5XRA_refined | 2.8 | A | Active | 96 | 60 | - | - | - | - | Flavodoxin | - |
AM11542
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
|
small-molecule | Agonist | anandamide, 2-arachidonoylglycerol | small-molecule | Yes | No | Hua T, Vemuri K, Nikas SP, Laprairie RB, Wu Y, Qu L, Pu M, Korde A, Jiang S, Ho JH, Han GW, Ding K, Li X, Liu H, Hanson MA, Zhao S, Bohn LM, Makriyannis A, Stevens RC, Liu ZJ | 10.1038/NATURE23272 | 2017-07-12 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5N2R | 5N2R_refined | 2.8 | A | Inactive | 1 | 71 | - | - | - | - | BRIL | - |
PSB36
PubChem
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Cheng RKY, Segala E, Robertson N, Deflorian F, Dore AS, Errey JC, Fiez-Vandal C, Marshall FH, Cooke RM | 10.1016/j.str.2017.06.012 | 2017-07-26 | Yes | |
EDNRB | ETB | Endothelin | A | Human | X-ray | 5X93 | 5X93_refined | 2.2 | A | Inactive | 5 | 71 | - | - | - | - | T4-Lysozyme | - |
K-8794
PubChem
Guide To Pharmacology
|
small-molecule | Antagonist | endothelin-3, endothelin-2, endothelin-1 | 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 | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5NLX | 5NLX_refined | 2.1 | A | Inactive | 1 | 73 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | No | Weinert T, Olieric N, Cheng R, Brunle S, James D, Ozerov D, Gashi D, Vera L, Marsh M, Jaeger K, Dworkowski F, Panepucci E, Basu S, Skopintsev P, Dore AS, Geng T, Cooke RM, Liang M, Prota AE, Panneels V, Nogly P, Ermler U, Schertler G, Hennig M, Steinmetz MO, Wang M, Standfuss J | 10.1038/S41467-017-00630-4 | 2017-09-27 | Yes | |
DRD4 | D4 | Dopamine | A | Human | X-ray | 5WIU | 5WIU_refined | 2.0 | A | Inactive | 1 | 58 | - | - | - | - | BRIL | - |
[3H]NEMONAPRIDE
ChEMBL_compound_ids
PubChem
|
small-molecule | Antagonist | dopamine | small-molecule | Yes | No | Wang S, Wacker D, Levit A, Che T, Betz RM, McCorvy JD, Venkatakrishnan AJ, Huang XP, Dror RO, Shoichet BK, Roth BL | 10.1126/SCIENCE.AAN5468 | 2017-10-18 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5VRA | 5VRA_refined | 2.4 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Broecker J, Morizumi T, Ou WL, Klingel V, Kuo A, Kissick DJ, Ishchenko A, Lee MY, Xu S, Makarov O, Cherezov V, Ogata CM, Ernst OP | 10.1038/NPROT.2017.135 | 2017-12-13 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5OLG | 5OLG_refined | 1.9 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
ZM-241385
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Antagonist | adenosine | small-molecule | Yes | Yes | Rucktooa P, Cheng RKY, Segala E, Geng T, Errey JC, Brown GA, Cooke RM, Marshall FH, Dore AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
AA2AR | A2A | Adenosine | A | Human | X-ray | 5OLZ | 5OLZ_refined | 1.9 | A | Inactive | 1 | 72 | - | - | - | - | BRIL | - |
CHEMBL2024114
ChEMBL_compound_ids
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, Dore AS | 10.1038/S41598-017-18570-W | 2018-01-17 | Yes | |
OPRK | κ | Opioid | A | Human | X-ray | 6B73 | 6B73_refined | 3.1 | A | Active | 99 | 73 | - | - | - | - | BRIL | Nanobody |
MP1104
PubChem
|
small-molecule | Agonist | big dynorphin, α-neoendorphin, dynorphin B, dynorphin A-(1-8), β-neoendorphin, dynorphin A, β-endorphin, dynorphin A-(1-13) | 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 MY, Pardon E, Steyaert J, Huang XP, 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 | |
5HT2C | 5-HT2C | 5-Hydroxytryptamine | A | Human | X-ray | 6BQH | 6BQH_refined | 2.7 | A | Inactive | 1 | 63 | - | - | - | - | BRIL | - |
ritanserin
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
|
small-molecule | Inverse agonist | 5-hydroxytryptamine | small-molecule | Yes | No | Peng Y, McCorvy JD, Harpsoe K, Lansu K, Yuan S, Popov P, Qu L, Pu M, Che T, Nikolajsen LF, Huang XP, Wu Y, Shen L, Bjorn-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 ZJ | 10.1016/j.cell.2018.01.001 | 2018-02-14 | Yes | |
GRM5 | mGlu5 | Metabotropic glutamate | C | Human | X-ray | 6FFH | 6FFH_refined | 2.7 | A | Inactive | 20 | 21 | - | - | - | - | T4-Lysozyme | - |
fenobam
PubChem
Guide To Pharmacology
ChEMBL_compound_ids
DrugBank
Guide To Pharmacology
PubChem
PubChem
PubChem
|
small-molecule | NAM | L-glutamic acid |