3D structures mapped by conservation among orthologs

[ Domain: "SWIB/MDM2 domain" // SWIB ]

 PyMOL session

[ Domain: "Rubredoxin-related" // zf-RanBP ]

 PyMOL session

[ Domain: "RING/U-box" // zf-C3HC4_3 ]

 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
CHEMBL3653245		IC50	=	0.04	nM	550.49	COc1ccc(CO)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O	Homo sapiens	CHEMBL3705464	single protein format
CHEMBL3318761		IC50	=	0.059	nM	579.55	C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)NC2CC2)C2CC2)C1=O	Homo sapiens	CHEMBL3370341	single protein format
CHEMBL3657124		IC50	=	0.059	nM	598.49	COC[C@@H](C)n1c(-c2cnc(N(C)C)nc2OC)nc2c1[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O	Homo sapiens	CHEMBL3705464	single protein format
CHEMBL3691776		IC50	=	0.068	nM	554.44	COc1nc(N(C)C)ncc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c[nH]c1=O)C2=O	Homo sapiens	CHEMBL3707807	single protein format
CHEMBL3653231		IC50	=	0.07	nM	552.46	COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1	Homo sapiens	CHEMBL3705464	single protein format
CHEMBL3639520		IC50	=	0.07	nM	591.54	COc1ccc(CNC(C)=O)cc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O	Homo sapiens	CHEMBL3705464	single protein format
CHEMBL3653166		IC50	=	0.07	nM	591.54	COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O	Homo sapiens	CHEMBL3705464	single protein format
CHEMBL4290086		IC50	=	0.074	nM	520.46	COc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O	Homo sapiens	CHEMBL4267760	single protein format
CHEMBL3318756		IC50	=	0.079	nM	567.54	CCNS(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1	Homo sapiens	CHEMBL3370341	single protein format
CHEMBL3657058		IC50	=	0.08	nM	564.0	COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)C(c1ccc(C#N)c(F)c1)N(c1cccc(Cl)c1F)C2=O	Homo sapiens	CHEMBL3705464	single protein format
CHEMBL3656990		IC50	=	0.08	nM	553.42	COc1ccc(C(N)=O)cc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O	Homo sapiens	CHEMBL3705464	single protein format
CHEMBL3318758		IC50	=	0.081	nM	593.57	C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)NCC2CC2)C2CC2)C1=O	Homo sapiens	CHEMBL3370341	single protein format
CHEMBL3657083		IC50	=	0.081	nM	568.47	COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O	Homo sapiens	CHEMBL3705464	single protein format
CHEMBL3318762		IC50	=	0.086	nM	593.57	C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)NC2CCC2)C2CC2)C1=O	Homo sapiens	CHEMBL3370341	single protein format
CHEMBL3657117		IC50	=	0.089	nM	572.42	COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O	Homo sapiens	CHEMBL3705464	single protein format
CHEMBL3657024		IC50	=	0.09	nM	591.54	COc1ccc(C(=O)NC(C)C)cc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O	Homo sapiens	CHEMBL3705464	single protein format
CHEMBL3657035		IC50	=	0.09	nM	591.54	COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O	Homo sapiens	CHEMBL3705464	single protein format
CHEMBL3653271		IC50	=	0.09	nM	554.43	COc1ncc(-c2nc3c(n2[C@H](C)CO)C(c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1	Homo sapiens	CHEMBL3705464	single protein format
CHEMBL3653173		IC50	=	0.09	nM	549.5	COc1ccc(CN)cc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O	Homo sapiens	CHEMBL3705464	single protein format
CHEMBL3318764		IC50	=	0.091	nM	595.59	CC(C)(C)NS(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1	Homo sapiens	CHEMBL3370341	single protein format