3D structures mapped by conservation among orthologs

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

 PyMOL session

[ Domain: "LIM domain-like" // zf-C4 ]

 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
CHEMBL3678131		IC50	=	0.06	nM	547.1	Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12	Homo sapiens	CHEMBL3706350	single protein format
CHEMBL3695832		IC50	=	0.13	nM	516.64	CC[C@@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1	Homo sapiens	CHEMBL3738479	single protein format
CHEMBL5191837		IC50	=	0.16	nM	408.8	Cc1cncc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)c1	Homo sapiens	CHEMBL5113063	cell-based format
CHEMBL5207130		IC50	=	0.17	nM	421.84	CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1	Homo sapiens	CHEMBL5113063	cell-based format
CHEMBL3678128		IC50	=	0.2	nM	561.12	Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12	Homo sapiens	CHEMBL3706350	single protein format
CHEMBL3678134		IC50	=	0.2	nM	561.12	Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12	Homo sapiens	CHEMBL3706350	single protein format
CHEMBL5187164		IC50	=	0.22	nM	466.29	CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)ccc3o2)cc1	Homo sapiens	CHEMBL5113063	cell-based format
CHEMBL5179281		IC50	=	0.23	nM	441.8	COc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1F	Homo sapiens	CHEMBL5113063	cell-based format
CHEMBL5206512		IC50	=	0.25	nM	422.83	CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cn1	Homo sapiens	CHEMBL5113063	cell-based format
CHEMBL5207464		IC50	=	0.29	nM	513.29	CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4I)ccc3o2)cc1	Homo sapiens	CHEMBL5113063	cell-based format
CHEMBL3678133		IC50	=	0.3	nM	583.91	Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12	Homo sapiens	CHEMBL3706350	single protein format
CHEMBL5204936		IC50	=	0.32	nM	407.82	Cc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1	Homo sapiens	CHEMBL5113063	cell-based format
CHEMBL3695782		IC50	=	0.5	nM	516.64	Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC(C)(C)c3ccccc3)cc12	Homo sapiens	CHEMBL3706273	single protein format
CHEMBL3695780		IC50	=	0.54	nM	532.64	COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1	Homo sapiens	CHEMBL3738479	single protein format
CHEMBL3695787		IC50	=	0.54	nM	497.64	CCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C#N)cc1)c1ccccc1	Homo sapiens	CHEMBL3706273	single protein format
CHEMBL5201278		IC50	=	0.58	nM	392.8	O=C(Nc1ccc2nc(-c3ccccc3)cn2c1)c1cc([N+](=O)[O-])ccc1Cl	Homo sapiens	CHEMBL5113063	cell-based format
CHEMBL3678126		IC50	=	0.6	nM	545.08	Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12	Homo sapiens	CHEMBL3706350	single protein format
CHEMBL3678125		IC50	=	0.6	nM	547.1	Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12	Homo sapiens	CHEMBL3706350	single protein format
CHEMBL3678132		IC50	=	0.6	nM	545.08	Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12	Homo sapiens	CHEMBL3706350	single protein format
CHEMBL3678127		IC50	=	0.7	nM	583.91	Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12	Homo sapiens	CHEMBL3706350	single protein format