3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 CSV    Ki CSV

Only the first 20 rows are shown.

molecule_chembl_id	structure	assay_type	relation	value	unit	mol_wt	smiles	organism	assay_chembl_id	bao_label
CHEMBL4544914		IC50	=	0.26	nM	453.56	CCc1cc(F)c2nc(N3CCC(N[C@@H]4CCCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1	Homo sapiens	CHEMBL4424268	cell-based format
CHEMBL4440683		IC50	=	0.53	nM	453.56	CCc1cc(F)c2nc(N3CCC(N[C@H]4CCCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1	Homo sapiens	CHEMBL4424268	cell-based format
CHEMBL4576339		IC50	=	0.59	nM	435.57	CCc1ccc2nc(N3CCC(N[C@H]4CCCC[C@@H]4O)CC3)c(-c3nc(C)no3)cc2c1	Homo sapiens	CHEMBL4424268	cell-based format
CHEMBL441765		IC50	=	0.69	nM	369.34	CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1	Homo sapiens	CHEMBL751987	single protein format
CHEMBL4523014		IC50	=	0.76	nM	407.56	CCc1ccc2nc(N3CCC(N[C@@H](C)C(C)C)CC3)c(-c3nc(C)no3)cc2c1	Homo sapiens	CHEMBL4424268	cell-based format
CHEMBL4459625		IC50	=	0.77	nM	421.55	CCc1ccc2nc(N3CCC(N[C@@H]4CCCOC4)CC3)c(-c3nc(C)no3)cc2c1	Homo sapiens	CHEMBL4424268	cell-based format
CHEMBL4456582		IC50	=	0.78	nM	439.54	CCc1cc(F)c2nc(N3CCC(N[C@@H]4CCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1	Homo sapiens	CHEMBL4424268	cell-based format
CHEMBL4592045		IC50	=	0.8	nM	453.56	CCc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1	Homo sapiens	CHEMBL4424268	cell-based format
CHEMBL4549826		IC50	=	0.88	nM	439.54	CCc1cc(F)c2nc(N3CCC(N[C@H]4CCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1	Homo sapiens	CHEMBL4424268	cell-based format
CHEMBL594511		IC50	=	1.03	nM	291.35	Cc1cc(NCC(=O)Nc2ccccc2)c2ccccc2n1	Homo sapiens	CHEMBL1047759	cell-based format
CHEMBL4128926		IC50	=	1.1	nM	583.78	CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12	Homo sapiens	CHEMBL4121495	single protein format
CHEMBL4583245		IC50	=	1.1	nM	439.54	CCc1cc(F)c2nc(N3CCC(N[C@@H]4CCCOC4)CC3)c(-c3nc(C)no3)cc2c1	Homo sapiens	CHEMBL4424268	cell-based format
CHEMBL2368861		IC50	=	1.2	nM	504.11	CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5.Cl	Homo sapiens	CHEMBL751989	single protein format
CHEMBL4526669		IC50	=	1.3	nM	379.51	Cc1ccc2nc(N3CCC(NCC(C)C)CC3)c(-c3nc(C)no3)cc2c1	Homo sapiens	CHEMBL4424268	cell-based format
CHEMBL310842		IC50	=	1.3	nM	452.6	Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C	Homo sapiens	CHEMBL751990	single protein format
CHEMBL4464264		IC50	=	1.3	nM	393.54	CCc1ccc2nc(N3CCC(NCC(C)C)CC3)c(-c3nc(C)no3)cc2c1	Homo sapiens	CHEMBL4424268	cell-based format
CHEMBL4461337		IC50	=	1.3	nM	371.49	Cc1cnc(N2CC[C@H](NC3CCCCC3)[C@@H](O)C2)c(-c2nc(C)no2)c1	Homo sapiens	CHEMBL4424268	cell-based format
CHEMBL293143		IC50	=	1.5	nM	408.93	COc1ccc(Cl)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O	Homo sapiens	CHEMBL751993	single protein format
CHEMBL77001		IC50	=	1.5	nM	443.59	Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1	Homo sapiens	CHEMBL751990	single protein format
CHEMBL80		IC50	=	1.5	nM	327.38	C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5	Homo sapiens	CHEMBL751989	single protein format