3D structures mapped by conservation among orthologs

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

 PyMOL session

[ Domain: "Disulfide-rich domain in A Disintegrin And Metalloprotease (ADAM) domain-containing proteins" // ADAM17_MPD ]

 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
CHEMBL391851		IC50	=	0.026	nM	432.44	Cc1cc(COc2ccc(C(=O)NC3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1	Homo sapiens	CHEMBL1003624	single protein format
CHEMBL1630098		IC50	=	0.1	nM	462.55	Cc1cc(COc2ccc([C@]3(N)CCN([C@@H](C(=O)NO)C(C)C)C3=O)cc2)c2ccccc2n1	Homo sapiens	CHEMBL1640792	single protein format
CHEMBL4082554		IC50	=	0.1	nM	479.56	Cc1cc(COc2ccc(S(=O)(=O)N[C@H]3[C@@H](C(=O)NO)[C@@H]4C=C[C@H]3C4)cc2)c2ccccc2n1	Homo sapiens	CHEMBL4024901	single protein format
CHEMBL271235		IC50	=	0.14	nM	458.52	C#CCN1C[C@H](C(=O)NO)[C@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1	Homo sapiens	CHEMBL1003624	single protein format
CHEMBL432079		IC50	=	0.2	nM	389.5	C=CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC	Homo sapiens	CHEMBL820592	tissue-based format
CHEMBL489100		IC50	=	0.2	nM	476.58	Cc1cc(COc2ccc([C@]3(N)CCN([C@H](CC(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1	Homo sapiens	CHEMBL1003624	single protein format
CHEMBL147956		IC50	=	0.21	nM	506.67	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCCc1ccc2sc(C)nc2c1)C(=O)NO)C(C)(C)C	Homo sapiens	CHEMBL820592	tissue-based format
CHEMBL439983		IC50	=	0.23	nM	471.6	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NCc1cccc2cccnc12)C(=O)NO)C(C)(C)C	Homo sapiens	CHEMBL820592	tissue-based format
CHEMBL1630106		IC50	=	0.27	nM	492.62	Cc1ccc2oc(=O)c(CC(CCCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1	Homo sapiens	CHEMBL1640792	single protein format
CHEMBL1630091		IC50	=	0.28	nM	466.58	CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1	Homo sapiens	CHEMBL1640792	single protein format
CHEMBL1630100		IC50	=	0.3	nM	367.4	Cc1ccc2oc(=O)c(CC(CCc3ccc(O)cc3)C(=O)NO)cc2c1	Homo sapiens	CHEMBL1640792	single protein format
CHEMBL279078		IC50	=	0.3	nM	417.55	CNC(=O)[C@H](Cc1cccc2c1CCCC2)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO	Homo sapiens	CHEMBL3049695	single protein format
CHEMBL148373		IC50	=	0.33	nM	471.6	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cccc2ccccc12)C(=O)NO)C(C)(C)C	Homo sapiens	CHEMBL820592	tissue-based format
CHEMBL357203		IC50	=	0.33	nM	582.5	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cc2c(O)nc(C)nc2cc1Br)C(=O)NO)C(C)(C)C	Homo sapiens	CHEMBL820592	tissue-based format
CHEMBL144188		IC50	=	0.4	nM	472.59	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cccc2cccnc12)C(=O)NO)C(C)(C)C	Homo sapiens	CHEMBL820592	tissue-based format
CHEMBL4071465		IC50	=	0.4	nM	471.54	Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCC[C@]3(O)C(=O)NO)cc2)c2ccccc2n1	Homo sapiens	CHEMBL4010789	single protein format
CHEMBL144736		IC50	=	0.42	nM	492.47	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](Sc1cc(Cl)cc(Cl)c1)C(=O)NO)C(C)(C)C	Homo sapiens	CHEMBL820592	tissue-based format
CHEMBL144229		IC50	=	0.43	nM	503.6	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1ccc2nc(C)nc(O)c2c1)C(=O)NO)C(C)(C)C	Homo sapiens	CHEMBL820592	tissue-based format
CHEMBL144101		IC50	=	0.44	nM	502.61	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cc2ccccc2n(C)c1=O)C(=O)NO)C(C)(C)C	Homo sapiens	CHEMBL820592	tissue-based format
CHEMBL1630090		IC50	=	0.46	nM	470.54	CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(F)cc3oc2=O)C(=O)NO)cc1	Homo sapiens	CHEMBL1640792	single protein format