3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_2 ]

 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
CHEMBL5078731		IC50	=	0.12	nM	258.36	CN(C)CCc1cn(CC2CC2)c2cccc(O)c12	Homo sapiens	CHEMBL5058461	cell-based format
CHEMBL14563		IC50	=	0.33	nM	394.86	Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2	Homo sapiens	CHEMBL4625518	cell-based format
CHEMBL516452		IC50	=	0.5	nM	364.79	O=C(Nc1ccc(Oc2cccnc2Cl)nc1)c1c[nH]c2ccccc12	Homo sapiens	CHEMBL988364	cell-based format
CHEMBL1818901		IC50	=	0.53	nM	426.54	O=C(Nc1ccc2c(c1)CCC(CN1CCCC1)=C2)c1ccc(-c2ccc(F)cc2)cc1	Homo sapiens	CHEMBL2033454	cell-based format
CHEMBL19215		IC50	=	0.663	nM	403.53	CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21	Homo sapiens	CHEMBL1909105	cell membrane format
CHEMBL14460		IC50	=	0.7	nM	428.41	Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2	Homo sapiens	CHEMBL988364	cell-based format
CHEMBL5077004		IC50	=	0.9	nM	232.33	CCn1cc(CCN(C)C)c2c(O)cccc21	Homo sapiens	CHEMBL5058461	cell-based format
CHEMBL6437		IC50	=	1.158	nM	264.37	CN1CCN2c3ccccc3Cc3ccccc3C2C1	Homo sapiens	CHEMBL1909105	cell membrane format
CHEMBL479952		IC50	=	1.6	nM	330.35	O=C(Nc1ccc(Oc2cccnc2)nc1)c1c[nH]c2ccccc12	Homo sapiens	CHEMBL988364	cell-based format
CHEMBL519103		IC50	=	1.9	nM	358.4	Cc1ccc2c(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c[nH]c2c1	Homo sapiens	CHEMBL988364	cell-based format
CHEMBL12314		IC50	=	1.9	nM	362.5	CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21	Homo sapiens	CHEMBL871864	single protein format
CHEMBL2393243		IC50	=	1.98	nM	366.9	Cl.c1ccc(Cc2nc3c(c(Nc4ccccc4)n2)CCNCC3)cc1	Homo sapiens	CHEMBL2396138	cell-based format
CHEMBL1065		IC50	=	2.087	nM	353.47	CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1	Homo sapiens	CHEMBL1909105	cell membrane format
CHEMBL2393245		IC50	=	2.3	nM	401.34	Cl.Clc1cccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)c1	Homo sapiens	CHEMBL2396138	cell-based format
CHEMBL516		IC50	=	2.44	nM	287.41	CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1	Homo sapiens	CHEMBL1909105	cell membrane format
CHEMBL51		IC50	=	2.7	nM	395.43	O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1	Homo sapiens	CHEMBL871864	single protein format
CHEMBL5071818		IC50	=	2.7	nM	250.32	CN(C)CCc1cn(CCF)c2cccc(O)c12	Homo sapiens	CHEMBL5058461	cell-based format
CHEMBL5085055		IC50	=	2.8	nM	232.33	CCN(C)CCc1cn(C)c2cccc(O)c12	Homo sapiens	CHEMBL5058461	cell-based format
CHEMBL2031574		IC50	=	3.1	nM	428.51	O=C(Nc1ccc2c(c1)OCC(CN1CCCC1)=C2)c1ccc(-c2ccc(F)cc2)cc1	Homo sapiens	CHEMBL2033454	cell-based format
CHEMBL1113		IC50	=	3.787	nM	313.79	Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2	Homo sapiens	CHEMBL1909105	cell membrane format