3D structures mapped by conservation among orthologs

[ Domain: "Metalloproteases ("zincins") catalytic domain" // Peptidase_M10 ]

 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
CHEMBL234530		IC50	=	1.0	nM	562.63	NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1	Homo sapiens	CHEMBL1010054	single protein format
CHEMBL515980		IC50	=	1.56	nM	422.46	CC(C)[C@H](C(=O)NO)N(CC(=O)O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1	Homo sapiens	CHEMBL1010054	single protein format
CHEMBL514138		IC50	=	6.8	nM	429.93	COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C(=O)NO)C(C)C)cc1.Cl	Homo sapiens	CHEMBL1010054	single protein format
CHEMBL19611		IC50	=	8.0	nM	388.47	CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C	Homo sapiens	CHEMBL718405	single protein format
CHEMBL472899		IC50	=	11.4	nM	380.38	O=C(O)CN(CC(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1	Homo sapiens	CHEMBL1010054	single protein format
CHEMBL148214		IC50	=	16.0	nM	408.43	COc1ccc(S(=O)(=O)N2CCc3cc(O)c(OC)cc3C2C(=O)NO)cc1	Homo sapiens	CHEMBL718405	single protein format
CHEMBL147882		IC50	=	21.0	nM	362.41	Cc1ccc(S(=O)(=O)N2CCc3cc(O)ccc3C2C(=O)NO)cc1	Homo sapiens	CHEMBL718405	single protein format
CHEMBL358539		IC50	=	22.0	nM	468.53	COc1ccc(S(=O)(=O)N2CCc3cc(OCc4ccccc4)ccc3C2C(=O)NO)cc1	Homo sapiens	CHEMBL718405	single protein format
CHEMBL573715		IC50	=	32.0	nM	413.45	COc1ccc(Oc2ccc(S(=O)(=O)c3ccccc3CC(=O)NO)cc2)cc1	Homo sapiens	CHEMBL1042359	single protein format
CHEMBL147881		IC50	=	35.0	nM	438.51	O=C(NO)C1c2ccc(OCc3ccccc3)cc2CCN1S(=O)(=O)c1ccccc1	Homo sapiens	CHEMBL718405	single protein format
CHEMBL1939846		IC50	=	39.0	nM	404.44	CC(C)[C@@H]1C(=O)N(O)C(=O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1	Homo sapiens	CHEMBL1942113	single protein format
CHEMBL148171		IC50	=	40.0	nM	378.41	COc1cc2c(cc1O)CCN(S(=O)(=O)c1ccccc1)C2C(=O)NO	Homo sapiens	CHEMBL718405	single protein format
CHEMBL234529		IC50	=	44.0	nM	500.56	COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1	Homo sapiens	CHEMBL1010054	single protein format
CHEMBL561963		IC50	=	51.0	nM	448.59	CC(C)ON(C(C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccc(C(C)C)cc2)cc1	Homo sapiens	CHEMBL816872	single protein format
CHEMBL179288		IC50	=	51.0	nM	406.5	CC(C)ON([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1	Homo sapiens	CHEMBL1042359	single protein format
CHEMBL146718		IC50	=	56.0	nM	452.53	Cc1ccc(S(=O)(=O)N2CCc3cc(OCc4ccccc4)ccc3C2C(=O)NO)cc1	Homo sapiens	CHEMBL718405	single protein format
CHEMBL573714		IC50	=	130.0	nM	321.35	COc1ccc(S(=O)(=O)c2ccccc2CC(=O)NO)cc1	Homo sapiens	CHEMBL1042359	single protein format
CHEMBL584365		IC50	=	130.0	nM	397.45	COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3CC(=O)NO)cc2)cc1	Homo sapiens	CHEMBL1042359	single protein format
CHEMBL572780		IC50	=	150.0	nM	411.48	COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3C(C)C(=O)NO)cc2)cc1	Homo sapiens	CHEMBL1042359	single protein format
CHEMBL147489		IC50	=	177.0	nM	393.38	O=C(NO)C1c2ccc(O)cc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	Homo sapiens	CHEMBL718405	single protein format