3D structures mapped by conservation among orthologs

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

 PyMOL session

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

 PyMOL session

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

 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
CHEMBL80496		IC50	=	0.0	nM	363.44	COc1ccc(CS(=O)(=O)C(C)(Cc2ccccc2)C(=O)NO)cc1	Homo sapiens	CHEMBL715221	single protein format
CHEMBL323090		IC50	=	0.01	nM	563.74	COc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)C(CCSCc2ccccc2)C(=O)NO)cc1	Homo sapiens	CHEMBL712561	single protein format
CHEMBL2064547		IC50	=	0.03	nM	429.47	COc1ccc(S(=O)(=O)N(Cc2cn(CCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1	Homo sapiens	CHEMBL2066798	single protein format
CHEMBL2064549		IC50	=	0.05	nM	561.63	COc1ccc(S(=O)(=O)N(Cc2cn(CCOCCOCCOCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1	Homo sapiens	CHEMBL2066798	single protein format
CHEMBL2425941		IC50	=	0.07	nM	373.41	CC(C)[C@H](C(=O)NO)N(CC#N)S(=O)(=O)c1ccc(OCCF)cc1	Homo sapiens	CHEMBL2429399	single protein format
CHEMBL2425947		IC50	=	0.07	nM	457.53	COc1ccc(S(=O)(=O)N(CCn2cc(CCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1	Homo sapiens	CHEMBL2429399	single protein format
CHEMBL5270698		IC50	=	0.092	nM	465.4	O=CN(O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)[C@@H](O)CO	Homo sapiens	CHEMBL5234288	single protein format
CHEMBL75164		IC50	=	0.092	nM	465.4	O=CN(O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)[C@H](O)CO	Homo sapiens	CHEMBL715231	single protein format
CHEMBL104022		IC50	<	0.1	nM	466.63	COc1ccc(S(=O)(=O)N(CC(C)C)C(CCSCc2ccccc2)C(=O)NO)cc1	Homo sapiens	CHEMBL712561	single protein format
CHEMBL1801399		IC50	<	0.1	nM	502.51	CC(C)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1	Homo sapiens	CHEMBL1806088	single protein format
CHEMBL1801397		IC50	<	0.1	nM	498.48	C#CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1	Homo sapiens	CHEMBL1806088	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	CHEMBL1806088	single protein format
CHEMBL1801394		IC50	=	0.1	nM	532.54	CCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1	Homo sapiens	CHEMBL1806088	single protein format
CHEMBL1801422		IC50	<	0.1	nM	460.51	O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc4c(c3)OCO4)cc2)CCN(C2CC2)CC1	Homo sapiens	CHEMBL1806088	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	CHEMBL1806088	single protein format
CHEMBL1800089		IC50	=	0.1	nM	557.59	O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCN(CCN2CCOCC2)CC1	Homo sapiens	CHEMBL1806088	single protein format
CHEMBL1801048		IC50	<	0.1	nM	393.42	O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(O)cc3)cc2)CCOCC1	Homo sapiens	CHEMBL1806088	single protein format
CHEMBL1801053		IC50	<	0.1	nM	423.51	CSc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1	Homo sapiens	CHEMBL1806088	single protein format
CHEMBL4535400		IC50	=	0.122	nM	433.44	O=C(Nc1ccc(S(=O)(=O)C2CCC[C@@H]2C(=O)NO)cc1)c1ccc([N+](=O)[O-])cc1	Homo sapiens	CHEMBL4393186	single protein format
CHEMBL16554		IC50	=	0.14	nM	372.58	CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C	Homo sapiens	CHEMBL712567	single protein format