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RECEPTOR
STRUCTURE
SIGNAL PROTEIN
AUXILIARY PROTEIN
STRUCTURE LIGAND
ENDOGENOUS LIGAND
SODIUM ION SITE
REFERENCE
ANNOTATED
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, PGF, 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, PGF, 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, PGF, 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