3D structures mapped by conservation among orthologs

[ Domain: "Caspase-like" // Peptidase_C14 ]

 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
CHEMBL1835210		IC50	=	41.0	nM	569.61	CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O)C(C)C)C(C)C	Homo sapiens	CHEMBL1838642	single protein format
CHEMBL1835209		IC50	=	46.0	nM	543.57	CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O)C(C)C)C(C)C	Homo sapiens	CHEMBL1838642	single protein format
CHEMBL1835322		IC50	=	86.0	nM	583.64	CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O)C(C)C)C(C)C	Homo sapiens	CHEMBL1838642	single protein format
CHEMBL1835211		IC50	=	108.0	nM	599.64	CO[C@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)[C@@H]1C(=O)N[C@H]1CC(=O)OC1O	Homo sapiens	CHEMBL1838642	single protein format
CHEMBL438969		IC50	=	231.0	nM	357.37	O=C(CCC(=O)N1CCCCC1)Nc1ccc2c(c1)C(=O)C(=O)NC2=O	Homo sapiens	CHEMBL863728	single protein format
CHEMBL439872		IC50	=	233.0	nM	366.33	CC(=O)OC(C(=O)Nc1cccc2c1C(=O)C(=O)NC2=O)c1ccccc1	Homo sapiens	CHEMBL863728	single protein format
CHEMBL382481		IC50	=	530.0	nM	280.67	O=C(CCCl)Nc1ccc2c(c1)C(=O)C(=O)NC2=O	Homo sapiens	CHEMBL863728	single protein format
CHEMBL203709		IC50	=	537.0	nM	395.37	COc1ccccc1NC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O	Homo sapiens	CHEMBL863728	single protein format
CHEMBL202971		IC50	=	859.0	nM	290.23	O=C(O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O	Homo sapiens	CHEMBL863728	single protein format
CHEMBL358725		Ki	=	960.0	nM	451.41	O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)nc1	Homo sapiens	CHEMBL658905	single protein format