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" // KOG3658 ]

 PyMOL session

[ Domain: "Blood coagulation inhibitor (disintegrin)" // Disintegrin ]

 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
CHEMBL5206579		IC50	=	5.3	nM	391.51	CNC(=O)[C@@H](NC(=O)C(CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C	Homo sapiens	CHEMBL5152111	single protein format
CHEMBL4435465		IC50	=	5.3	nM	405.54	CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C(C)=O)C(C)(C)C	Homo sapiens	CHEMBL4428337	single protein format
CHEMBL442432		IC50	=	6.2	nM	523.65	Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)OC3CCCC3O)CC2)CC1	Homo sapiens	CHEMBL927854	cell-based format
CHEMBL253021		IC50	=	6.5	nM	547.68	Cc1cc(C#N)ccc1C1CCN(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)OC[C@@H]3CCCN3)CC2)CC1	Homo sapiens	CHEMBL927854	cell-based format
CHEMBL251820		IC50	=	7.1	nM	493.58	O=C(O[C@H]1CCOC1)N1CCC(CS(=O)(=O)N2CC=C(c3ccccc3)CC2)(C(=O)NO)CC1	Homo sapiens	CHEMBL927854	cell-based format
CHEMBL19611		IC50	=	8.1	nM	388.47	CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C	Homo sapiens	CHEMBL874439	single protein format
CHEMBL569388		IC50	=	9.0	nM	442.52	O=C(NO)[C@H]1CC(OC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1	Homo sapiens	CHEMBL1043546	single protein format
CHEMBL3770688		IC50	=	9.2	nM	544.63	Cc1cc(C#N)ccc1N1CCN(S(=O)(=O)N[C@H](CCCNC(=O)OCc2ccccc2)C(=O)NO)CC1	Homo sapiens	CHEMBL3773749	single protein format
CHEMBL584116		IC50	=	9.6	nM	473.57	CN1C[C@@H](OC(=O)N2CCCCC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ccccc2)CC1	Homo sapiens	CHEMBL1043546	single protein format
CHEMBL566233		IC50	=	11.0	nM	445.52	O=C(NO)[C@H]1C[C@H](OC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CCN(c2ccccc2)CC1	Homo sapiens	CHEMBL1043546	single protein format
CHEMBL572301		IC50	=	11.0	nM	444.53	CC(C)OC(=O)N(C)C1CN[C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)NO)C1	Homo sapiens	CHEMBL1043546	single protein format
CHEMBL570760		IC50	=	12.0	nM	462.55	CN(C(=O)c1ccccc1)C1CN[C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)NO)C1	Homo sapiens	CHEMBL1043546	single protein format
CHEMBL399351		IC50	=	13.0	nM	496.59	O=C(O[C@H]1CCOC1)N1CCC(CS(=O)(=O)N2CCN(c3ccccc3)CC2)(C(=O)NO)CC1	Homo sapiens	CHEMBL927854	cell-based format
CHEMBL400528		IC50	=	13.0	nM	533.65	Cc1cc(C#N)ccc1C1CCN(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)OC3CCNC3)CC2)CC1	Homo sapiens	CHEMBL927854	cell-based format
CHEMBL576061		IC50	=	14.0	nM	428.53	O=C(NO)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1	Homo sapiens	CHEMBL1043546	single protein format
CHEMBL253665		IC50	=	14.0	nM	534.64	Cc1cc(C#N)ccc1C1CCN(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)O[C@H]3CCOC3)CC2)CC1	Homo sapiens	CHEMBL927854	cell-based format
CHEMBL439405		IC50	=	14.0	nM	537.68	Cc1ccccc1C1CCN(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)OC3COCC3(C)C)CC2)CC1	Homo sapiens	CHEMBL927854	cell-based format
CHEMBL251847		IC50	=	14.0	nM	392.89	O=C(NO)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1	Homo sapiens	CHEMBL927684	single protein format
CHEMBL253920		IC50	=	15.0	nM	391.42	O=C(NO)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(c2cc(F)cc(F)c2)CC1	Homo sapiens	CHEMBL927684	single protein format
CHEMBL496628		IC50	=	15.0	nM	456.59	O=C(NO)[C@H]1C[C@@H](CC(=O)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1	Homo sapiens	CHEMBL1008370	single protein format