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
CHEMBL3290767		IC50	=	-41900.0	nM	403.85	Cn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1Cl	Homo sapiens	CHEMBL3296313	single protein format
CHEMBL5081637		IC50	=	0.245	nM	258.36	CN(CCc1cn(C)c2cccc(O)c12)CC1CC1	Homo sapiens	CHEMBL5058460	cell-based format
CHEMBL19215		IC50	=	0.442	nM	403.53	CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21	Homo sapiens	CHEMBL1909104	cell membrane format
CHEMBL1065		IC50	=	0.563	nM	353.47	CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1	Homo sapiens	CHEMBL1909104	cell membrane format
CHEMBL65547		IC50	=	1.07	nM	204.27	CN(C)CCc1c[nH]c2cccc(O)c12	Homo sapiens	CHEMBL5058460	cell-based format
CHEMBL1201356		IC50	=	1.505	nM	339.44	CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1	Homo sapiens	CHEMBL1909104	cell membrane format
CHEMBL6616		IC50	=	3.2	nM	321.16	COc1cc(CC(C)N)c(OC)cc1I	Homo sapiens	CHEMBL2394825	single protein format
CHEMBL4128926		IC50	=	3.2	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	CHEMBL4121501	single protein format
CHEMBL442		IC50	=	3.461	nM	581.67	CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21	Homo sapiens	CHEMBL1909104	cell membrane format
CHEMBL119443		IC50	=	4.139	nM	325.41	C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1	Homo sapiens	CHEMBL1909104	cell membrane format
CHEMBL157138		IC50	=	5.095	nM	338.46	CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1	Homo sapiens	CHEMBL1909104	cell membrane format
CHEMBL12314		IC50	=	5.2	nM	362.5	CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21	Homo sapiens	CHEMBL4396180	cell-based format
CHEMBL3634745		IC50	=	6.7	nM	422.46	O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)[nH]1	Homo sapiens	CHEMBL3637049	single protein format
CHEMBL1732		IC50	=	6.804	nM	583.69	CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	Homo sapiens	CHEMBL1909104	cell membrane format
CHEMBL6437		IC50	=	7.295	nM	264.37	CN1CCN2c3ccccc3Cc3ccccc3C2C1	Homo sapiens	CHEMBL1909104	cell membrane format
CHEMBL516		IC50	=	9.441	nM	287.41	CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1	Homo sapiens	CHEMBL1909104	cell membrane format
CHEMBL1113		IC50	=	10.0	nM	313.79	Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2	Homo sapiens	CHEMBL1909104	cell membrane format
CHEMBL42		IC50	=	11.0	nM	326.83	CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1	Homo sapiens	CHEMBL1909104	cell membrane format
CHEMBL1385840		IC50	=	11.0	nM	561.68	CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12	Homo sapiens	CHEMBL1909104	cell membrane format
CHEMBL296419		IC50	=	12.0	nM	458.58	COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1	Homo sapiens	CHEMBL1909104	cell membrane format