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
CHEMBL1097841		IC50	=	0.2	nM	527.84	CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1	Homo sapiens	CHEMBL1105736	cell-based format
CHEMBL1095151		IC50	=	0.2	nM	555.89	Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21	Homo sapiens	CHEMBL1105736	cell-based format
CHEMBL1095158		IC50	=	0.2	nM	541.87	Cc1c[nH]nc1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21	Homo sapiens	CHEMBL1105736	cell-based format
CHEMBL1083619		IC50	=	0.2	nM	511.45	C[C@@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21	Homo sapiens	CHEMBL1120212	single protein format
CHEMBL529213		IC50	=	0.2	nM	573.52	O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(-c3nnc[nH]3)cc(C(F)(F)F)c2)CC1	Homo sapiens	CHEMBL1011882	cell-based format
CHEMBL1553629		IC50	=	0.29	nM	409.96	CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12	Homo sapiens	CHEMBL4730599	cell-based format
CHEMBL1095150		IC50	=	0.3	nM	541.87	Cc1n[nH]cc1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21	Homo sapiens	CHEMBL1105736	cell-based format
CHEMBL220360		IC50	=	0.3	nM	515.96	C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1	Homo sapiens	CHEMBL911626	cell-based format
CHEMBL231636		IC50	=	0.3	nM	515.96	C[C@H](NC(=O)C(C)(C)Oc1cncc(C(F)(F)F)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1	Homo sapiens	CHEMBL887423	cell-based format
CHEMBL1086494		IC50	=	0.3	nM	497.42	O=C(CO)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21	Homo sapiens	CHEMBL1120212	single protein format
CHEMBL523300		IC50	=	0.3	nM	564.55	CC(C)Oc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)CC2)c1	Homo sapiens	CHEMBL1011882	cell-based format
CHEMBL487500		IC50	=	0.3	nM	574.5	O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(-c3ncon3)cc(C(F)(F)F)c2)CC1	Homo sapiens	CHEMBL1011882	cell-based format
CHEMBL487708		IC50	=	0.3	nM	572.53	O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(-c3ccn[nH]3)cc(C(F)(F)F)c2)CC1	Homo sapiens	CHEMBL1011882	cell-based format
CHEMBL595462		IC50	=	0.34	nM	511.41	N#CN1CCC(CNC(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CC(N)=O)CC1	Homo sapiens	CHEMBL1074628	cell-based format
CHEMBL1090403		IC50	=	0.39	nM	510.42	CN(C)C(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12	Homo sapiens	CHEMBL1115255	single protein format
CHEMBL1084820		IC50	=	0.4	nM	511.45	C[C@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21	Homo sapiens	CHEMBL1120212	single protein format
CHEMBL1091832		IC50	=	0.4	nM	483.35	CC(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)CO	Homo sapiens	CHEMBL1115255	single protein format
CHEMBL226590		IC50	=	0.47	nM	489.59	Cc1ccnc(OC(C)(C)C(=O)N[C@@H](C)[C@@H](Cc2ccc(OCCF)cc2)c2cccc(C#N)c2)c1	Homo sapiens	CHEMBL889632	cell-based format
CHEMBL1095476		IC50	=	0.5	nM	555.89	Cc1[nH]nc(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc32)c1C	Homo sapiens	CHEMBL1105736	cell-based format
CHEMBL490859		IC50	=	0.5	nM	536.49	COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)CC2)c1	Homo sapiens	CHEMBL1011882	cell-based format