3D structures mapped by conservation among orthologs

[ Domain: "Baculovirus p35 protein-related" // Peptidase_M1_2 ]

 PyMOL session

[ Domain: "ARM repeat" // Leuk-A4-hydro_C ]

 PyMOL session

[ Domain: "Metalloproteases ("zincins") catalytic domain" // Peptidase_M1_1 ]

 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
CHEMBL2207747		IC50	=	0.3	nM	422.55	CC(=O)NC1CC2CCC(C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1	Homo sapiens	CHEMBL2212808	cell-based format
CHEMBL3931416		IC50	=	0.44	nM	442.52	CCC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1	Homo sapiens	CHEMBL3888193	single protein format
CHEMBL119612		IC50	=	0.5	nM	405.49	CN(CCCOc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)CCC(=O)O	Homo sapiens	CHEMBL1772368	single protein format
CHEMBL3953799		IC50	=	0.54	nM	456.55	CC(C)C(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1	Homo sapiens	CHEMBL3888193	single protein format
CHEMBL3910403		IC50	=	0.6	nM	428.5	CC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1	Homo sapiens	CHEMBL3888193	single protein format
CHEMBL3980517		IC50	=	0.69	nM	444.5	O=C(CO)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1	Homo sapiens	CHEMBL3888193	single protein format
CHEMBL273570		IC50	=	0.8	nM	354.41	N#Cc1ccc2c(ncn2CCOc2ccc(Cc3ccccc3)cc2)n1	Homo sapiens	CHEMBL706182	single protein format
CHEMBL4113328		IC50	=	0.88	nM	458.52	CN(Cc1cnc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2c1)[C@@H]1CCN(C(=O)CO)C1	Homo sapiens	CHEMBL3888193	single protein format
CHEMBL3895554		IC50	=	0.93	nM	454.53	O=C(C1CC1)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1	Homo sapiens	CHEMBL3888193	single protein format
CHEMBL481672		IC50	=	1.0	nM	509.61	O=C(O)c1ccc(CCN2[C@@H]3CC[C@H]2C[C@@H](Nc2ccc(Oc4ccc(-c5ncco5)cc4)cc2)C3)cc1	Homo sapiens	CHEMBL990997	single protein format
CHEMBL2207751		IC50	=	1.0	nM	408.53	CC(=O)NC1CC2CCC(C1)N2Cc1ccc(Oc2nc3ncccc3s2)cc1	Homo sapiens	CHEMBL2212808	cell-based format
CHEMBL323686		IC50	=	1.0	nM	466.6	CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)NS(=O)(=O)c1ccccc1	Homo sapiens	CHEMBL706180	single protein format
CHEMBL3892382		IC50	=	1.1	nM	442.52	CC(=O)N1CC(CN(C)Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1	Homo sapiens	CHEMBL3888193	single protein format
CHEMBL3917039		IC50	=	1.1	nM	458.52	C[C@H](O)C(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1	Homo sapiens	CHEMBL3888193	single protein format
CHEMBL117549		IC50	=	1.3	nM	313.4	O=C(O)CNCCCCOc1ccc(Cc2ccccc2)cc1	Homo sapiens	CHEMBL706180	single protein format
CHEMBL119683		IC50	=	1.3	nM	404.53	CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)NS(C)(=O)=O	Homo sapiens	CHEMBL706180	single protein format
CHEMBL3889572		IC50	=	1.3	nM	458.52	CN(Cc1cnc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2c1)[C@H]1CCN(C(=O)CO)C1	Homo sapiens	CHEMBL3888193	single protein format
CHEMBL3979012		IC50	=	1.4	nM	458.52	COCC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1	Homo sapiens	CHEMBL3888193	single protein format
CHEMBL576512		IC50	=	1.4	nM	254.33	c1ccc(Oc2ccc(N3CCNCC3)cc2)cc1	Homo sapiens	CHEMBL1046154	single protein format
CHEMBL3978522		IC50	=	1.5	nM	456.55	CN(C)C(=O)C1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1	Homo sapiens	CHEMBL3888193	single protein format