3D structures mapped by conservation among orthologs

[ Domain: "Nuclear receptor ligand-binding domain" // Hormone_recep_1 ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 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
CHEMBL4159402		IC50	=	0.2	nM	565.67	CC(=O)N1CCC(C[C@@H](c2nc3ccc(C)cc3n2C)N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)CC1	Homo sapiens	CHEMBL4144794	cell-based format
CHEMBL5270123		IC50	=	0.4	nM	565.99	O=C(Nc1cc(Cl)ccc1-c1nc2cc(F)c(F)cc2n1CC1CCCCC1)c1ccc(-c2nnn[nH]2)cc1F	Homo sapiens	CHEMBL5247733	single protein format
CHEMBL4165756		IC50	=	0.8	nM	586.09	CC(=O)N1CCC(C[C@@H](c2nc3ccc(Cl)cc3n2C)N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)CC1	Homo sapiens	CHEMBL4144794	cell-based format
CHEMBL4176369		IC50	=	1.0	nM	569.64	CC(=O)N1CCC(C[C@@H](c2nc3cc(F)ccc3n2C)N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)CC1	Homo sapiens	CHEMBL4144794	cell-based format
CHEMBL4101903		IC50	=	1.0	nM	594.69	CC(C)(C)n1ncc(C(=O)Nc2ccc3cnn(CC4CCN(c5ccc(C(=O)O)cc5)CC4)c3c2)c1-c1ccc(F)cc1	Homo sapiens	CHEMBL4009808	cell-based format
CHEMBL1668249		IC50	=	1.0	nM	598.02	O=C(Nc1ccc(OC2(C(=O)O)CC2)cc1F)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21	Homo sapiens	CHEMBL1670706	single protein format
CHEMBL1615154		IC50	=	4.0	nM	559.95	O=C(O)c1cc(F)c(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(F)c1	Homo sapiens	CHEMBL1670706	single protein format
CHEMBL3264644		IC50	=	7.5	nM	560.68	COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(-c3ccc(C)cc3)n2)c1	Homo sapiens	CHEMBL3269919	single protein format
CHEMBL1668257		IC50	=	8.0	nM	565.99	O=C(Nc1ccc(-c2nnn[nH]2)cc1F)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21	Homo sapiens	CHEMBL1670706	single protein format
CHEMBL1668244		IC50	=	8.0	nM	591.96	O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(C(F)(F)F)c1	Homo sapiens	CHEMBL1670706	single protein format
CHEMBL1668243		IC50	=	9.0	nM	558.41	O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(Cl)c1	Homo sapiens	CHEMBL1670706	single protein format
CHEMBL4241985		IC50	=	9.2	nM	341.41	COc1cc(C(C)(C)C)ccc1C(=O)Nc1ccc(CC(=O)O)cc1	Homo sapiens	CHEMBL4234012	cell-based format
CHEMBL1668259		IC50	=	10.0	nM	555.98	O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3ccccc32)c(C(F)(F)F)c1	Homo sapiens	CHEMBL1670706	single protein format
CHEMBL1668238		IC50	=	10.0	nM	486.01	O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21	Homo sapiens	CHEMBL1670706	single protein format
CHEMBL3264642		IC50	=	10.2	nM	580.71	Cc1ccc(-c2nn(Cc3ccc4ccccc4c3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1	Homo sapiens	CHEMBL3269919	single protein format
CHEMBL3264636		IC50	=	10.4	nM	551.07	Cc1ccc(-c2nn(-c3cccc(Cl)c3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1	Homo sapiens	CHEMBL3269919	single protein format
CHEMBL1642362		IC50	=	13.0	nM	502.46	O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(Cl)cc21	Homo sapiens	CHEMBL1647427	single protein format
CHEMBL1668248		IC50	=	13.0	nM	570.01	O=C(O)CCc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(F)c1	Homo sapiens	CHEMBL1670706	single protein format
CHEMBL3264637		IC50	=	14.1	nM	585.51	Cc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1	Homo sapiens	CHEMBL3269919	single protein format
CHEMBL5285068		IC50	=	17.0	nM	493.05	Cc1cc(C(=O)O)cc(C)c1OCC(c1c2c(nn1-c1ccc(Cl)cc1)CCC2)C1CCCCC1	Homo sapiens	CHEMBL5247733	single protein format