3D structures mapped by conservation among orthologs

[ Domain: "Creatinase/aminopeptidase" // Peptidase_M24 ]

 PyMOL session

[ Domain: "Creatinase/prolidase N-terminal domain" // AMP_N ]

 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
CHEMBL5419166		IC50	=	280.0	nM	257.33	CC(C)C[C@@H](N)[C@H](O)C(=O)N1CCC[C@H]1C(N)=O	Homo sapiens	CHEMBL5381507	single protein format
CHEMBL5433567		IC50	=	290.0	nM	327.47	CC(C)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C	Homo sapiens	CHEMBL5381507	single protein format
CHEMBL5435351		IC50	=	300.0	nM	288.34	COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CCCCO	Homo sapiens	CHEMBL5381507	single protein format
CHEMBL5429139		IC50	=	530.0	nM	272.35	CCCC[C@@H](N)[C@H](O)C(=O)N1CCC[C@H]1C(=O)OC	Homo sapiens	CHEMBL5381507	single protein format
CHEMBL5433668		IC50	=	560.0	nM	477.63	CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)NS(=O)(=O)N(C)C	Homo sapiens	CHEMBL5381507	single protein format
CHEMBL2369858		IC50	=	660.0	nM	328.41	CC(C)C[C@H](N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O	Homo sapiens	CHEMBL856203	single protein format
CHEMBL5437413		IC50	=	670.0	nM	272.34	COC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C	Homo sapiens	CHEMBL5381507	single protein format
CHEMBL5419034		IC50	=	720.0	nM	419.52	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C	Homo sapiens	CHEMBL5381507	single protein format
CHEMBL5393876		IC50	=	720.0	nM	416.54	CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)NCCF	Homo sapiens	CHEMBL5381507	single protein format
CHEMBL5407130		IC50	=	840.0	nM	290.33	COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H](O)[C@H](N)CC(C)C	Homo sapiens	CHEMBL5381507	single protein format
CHEMBL5401781		IC50	=	840.0	nM	385.51	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)OC	Homo sapiens	CHEMBL5381507	single protein format
CHEMBL5410658		IC50	=	910.0	nM	385.51	COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC(C)C	Homo sapiens	CHEMBL5381507	single protein format
CHEMBL5403940		IC50	=	1000.0	nM	298.38	COC(=O)[C@@H]1CC2(CC2)CN1C(=O)[C@@H](O)[C@H](N)CC(C)C	Homo sapiens	CHEMBL5381507	single protein format
CHEMBL1235228		Ki	=	8.5	nM	168.04	C=C(OP(=O)(O)O)C(=O)O	Homo sapiens	CHEMBL769532	single protein format
CHEMBL96505		Ki	=	270.0	nM	207.66	Cl.NCC(=O)[C@@H]1CCC[C@H]1C(=O)O	Homo sapiens	CHEMBL769531	single protein format