3D structures mapped by conservation among orthologs

[ Domain: "4-bladed" // Hemopexin ]

 PyMOL session

[ Domain: "PGBD-like" // PG_binding_1 ]

 PyMOL session

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

 PyMOL session

[ Domain: "Kringle-like" // fn2 ]

 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
CHEMBL421882		IC50	=	0.004	nM	412.31	CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O	Homo sapiens	CHEMBL2339488	single protein format
CHEMBL198778		IC50	=	0.04	nM	322.34	O=C(CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)NO	Homo sapiens	CHEMBL2345603	single protein format
CHEMBL330028		IC50	=	0.04	nM	333.41	CC(C)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O	Homo sapiens	CHEMBL2339488	single protein format
CHEMBL5288452		IC50	=	0.0449	nM	420.51	Cc1ccc(-c2cc(-c3ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc3)no2)s1	Homo sapiens	CHEMBL5241283	single protein format
CHEMBL318484		IC50	=	0.048	nM	423.52	CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3cccnc3)cc2)[C@H]1C(=O)NO	Homo sapiens	CHEMBL714218	single protein format
CHEMBL4522121		IC50	=	0.048	nM	551.62	O=C(NCc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCC[C@@H]3C(=O)NO)cc2)cc1)OCc1ccccc1	Homo sapiens	CHEMBL4393185	single protein format
CHEMBL473539		IC50	=	0.05	nM	422.53	CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1C(=O)NO	Homo sapiens	CHEMBL5118945	single protein format
CHEMBL126461		IC50	=	0.06	nM	480.98	O=C(NO)C(CCn1nnc2ccccc2c1=O)CSc1ccc(-c2ccc(Cl)cc2)cc1	Homo sapiens	CHEMBL714993	single protein format
CHEMBL5280430		IC50	=	0.065	nM	434.54	CCc1ccc(-c2cc(-c3ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc3)no2)s1	Homo sapiens	CHEMBL5241283	single protein format
CHEMBL179288		IC50	=	0.09	nM	406.5	CC(C)ON([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1	Homo sapiens	CHEMBL829405	single protein format
CHEMBL4535400		IC50	=	0.096	nM	433.44	O=C(Nc1ccc(S(=O)(=O)C2CCC[C@@H]2C(=O)NO)cc1)c1ccc([N+](=O)[O-])cc1	Homo sapiens	CHEMBL4393185	single protein format
CHEMBL311141		IC50	=	0.098	nM	526.51	CN(C)S(=O)(=O)CC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O	Homo sapiens	CHEMBL718937	single protein format
CHEMBL1801424		IC50	=	0.1	nM	484.5	O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCN(C2CC2)CC1	Homo sapiens	CHEMBL1806084	single protein format
CHEMBL1801414		IC50	=	0.1	nM	476.6	COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(C)C)cc3)cc2)CC1	Homo sapiens	CHEMBL1806084	single protein format
CHEMBL1801413		IC50	=	0.1	nM	456.56	C#CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(C)C)cc3)cc2)CC1	Homo sapiens	CHEMBL1806084	single protein format
CHEMBL1233506		IC50	<	0.1	nM	574.74	CCCCCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(CCN3CCOCC3)[C@@H](C(=O)NO)C(C)C)cc2)cc1	Homo sapiens	CHEMBL1960475	single protein format
CHEMBL1801046		IC50	<	0.1	nM	411.86	O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1	Homo sapiens	CHEMBL1806084	single protein format
CHEMBL1801396		IC50	=	0.1	nM	502.47	CC(=O)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1	Homo sapiens	CHEMBL1806084	single protein format
CHEMBL1801049		IC50	<	0.1	nM	435.5	CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1	Homo sapiens	CHEMBL1806084	single protein format
CHEMBL1801412		IC50	=	0.1	nM	460.55	CCOc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCN(C4CC4)CC3)cc2)cc1	Homo sapiens	CHEMBL1806084	single protein format