3D structures mapped by conservation among orthologs

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

 PyMOL session

[ Domain: "Inhibitor of apoptosis (IAP) repeat" // BIR ]

 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
CHEMBL3142652		IC50	=	2.1	nM	598.62	CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1.Cl.Cl	Homo sapiens	CHEMBL2318322	single protein format
CHEMBL3216800		IC50	=	2.6	nM	592.57	CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1.Cl.Cl	Homo sapiens	CHEMBL2318322	single protein format
CHEMBL3215905		IC50	=	2.7	nM	596.64	CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1.Cl.Cl	Homo sapiens	CHEMBL2318322	single protein format
CHEMBL1241426		IC50	=	5.3	nM	573.74	CN[C@@H](C)C(=O)N[C@H]1CC[C@@H](NC(=O)Cc2ccccc2)C[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O	Homo sapiens	CHEMBL1248346	cell-based format
CHEMBL4164385		IC50	=	5.7	nM	512.68	CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2cccc(OC)c2)cs1)C1CCCCC1	Homo sapiens	CHEMBL4135558	assay format
CHEMBL5403426		IC50	=	8.4	nM	470.61	CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(O)cccc21)C1CCCCC1	Homo sapiens	CHEMBL5343707	single protein format
CHEMBL4581366		IC50	=	9.0	nM	552.67	CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(OS(=O)(=O)F)cccc21)C1CCCCC1	Homo sapiens	CHEMBL4416033	assay format
CHEMBL2063869		IC50	=	12.9	nM	498.65	CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1	Homo sapiens	CHEMBL4256815	single protein format
CHEMBL3215904		IC50	=	14.0	nM	570.61	CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@H](C)c1ccccc1)C1CCCCC1.Cl.Cl	Homo sapiens	CHEMBL2318322	single protein format
CHEMBL456400		IC50	=	14.5	nM	519.65	CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O	Homo sapiens	CHEMBL2160289	single protein format
CHEMBL4288478		IC50	=	15.0	nM	580.6	CN[C@@H](C)C(=O)N[C@@H](Cc1cc(C)c(C(F)(F)F)cc1F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21	Homo sapiens	CHEMBL4256815	single protein format
CHEMBL2431768		IC50	=	19.0	nM	500.64	CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1	Homo sapiens	CHEMBL4416033	assay format
CHEMBL2158051		IC50	=	22.1	nM	561.73	CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O	Homo sapiens	CHEMBL2162885	assay format
CHEMBL504559		IC50	=	26.3	nM	595.74	CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccccc2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O	Homo sapiens	CHEMBL1248346	cell-based format
CHEMBL4288451		IC50	=	30.6	nM	560.65	CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(S(=O)(=O)O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21	Homo sapiens	CHEMBL4256815	single protein format
CHEMBL4437401		IC50	=	47.0	nM	578.64	CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21	Homo sapiens	CHEMBL4416033	assay format
CHEMBL4277802		IC50	=	53.5	nM	525.58	CN[C@@H](C)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21	Homo sapiens	CHEMBL4256815	single protein format
CHEMBL4276715		IC50	=	56.6	nM	433.53	CN[C@@H](C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2c(F)cccc21	Homo sapiens	CHEMBL4256815	single protein format
CHEMBL481422		IC50	=	74.7	nM	476.62	CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O	Homo sapiens	CHEMBL1248346	cell-based format
CHEMBL1243385		IC50	=	91.8	nM	492.62	CN[C@@H](C)C(=O)N[C@H]1CC[C@@H](O)C[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O	Homo sapiens	CHEMBL1248346	cell-based format