3D structures mapped by conservation among orthologs

[ Domain: "Protease propeptides/inhibitors" // Propep_M14 ]

 PyMOL session

[ Domain: "Zn-dependent exopeptidases" // Peptidase_M14 ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 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
CHEMBL4436298		Ki	=	0.2	nM	516.58	CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O	Homo sapiens	CHEMBL4413959	single protein format
CHEMBL4528407		Ki	=	0.7	nM	440.48	CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O	Homo sapiens	CHEMBL4413959	single protein format
CHEMBL4460840		Ki	=	1.0	nM	502.55	CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O	Homo sapiens	CHEMBL4413959	single protein format
CHEMBL4483485		Ki	=	1.7	nM	490.49	CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O	Homo sapiens	CHEMBL4413959	single protein format
CHEMBL4532731		Ki	=	2.4	nM	455.49	CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O	Homo sapiens	CHEMBL4413959	single protein format
CHEMBL4453900		Ki	=	3.2	nM	424.43	CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O	Homo sapiens	CHEMBL4413959	single protein format
CHEMBL4448096		Ki	=	4.6	nM	456.43	CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O	Homo sapiens	CHEMBL4413959	single protein format
CHEMBL4513310		Ki	=	7.8	nM	593.61	C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCN)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O	Homo sapiens	CHEMBL4413959	single protein format
CHEMBL4440735		Ki	=	13.8	nM	414.4	CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O	Homo sapiens	CHEMBL4413959	single protein format