3D structures mapped by conservation among orthologs

[ Domain: "Galactose-binding domain-like" // P_proprotein ]

 PyMOL session

[ Domain: "Subtilisin-like" // Peptidase_S8 ]

 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
CHEMBL4869416		IC50	=	290.0	nM	555.53	COc1cc(C(NC2=NC(=O)C(CC(=O)Nc3ccc(C(=O)O)cc3)S2)c2c(O)[nH]c(=O)[nH]c2=O)ccc1O	Homo sapiens	CHEMBL4822922	single protein format
CHEMBL4877358		IC50	=	290.0	nM	504.47	N=C(N/N=C/c1ccccc1O)c1nonc1NCNc1nonc1C(=N)N/N=C/c1ccccc1O	Homo sapiens	CHEMBL4822922	single protein format
CHEMBL2049154		Ki	=	1.0	nM	588.72	CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc(C(=N)N)cc1)C(C)C	Homo sapiens	CHEMBL2051583	single protein format
CHEMBL5189010		Ki	=	1.26	nM	559.72	CC(C)(C)[C@H](NC(=O)CCCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1	Homo sapiens	CHEMBL5151869	single protein format
CHEMBL5177645		Ki	=	2.0	nM	466.55	N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@H](Oc2ccc(C(=N)N)cc2)C[C@@H]1Oc1ccc(C(=N)N)cc1	Homo sapiens	CHEMBL5151881	single protein format
CHEMBL5170438		Ki	=	2.5	nM	545.69	CC(C)[C@H](NC(=O)CCCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1	Homo sapiens	CHEMBL5151869	single protein format
CHEMBL5199986		Ki	=	5.0	nM	535.44	N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@H](Oc2ccc(C(=N)N)cc2Cl)C[C@@H]1Oc1ccc(C(=N)N)cc1Cl	Homo sapiens	CHEMBL5151881	single protein format
CHEMBL488769		Ki	=	6.0	nM	546.64	N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)c4ccccc34)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)cc1	Homo sapiens	CHEMBL998935	single protein format
CHEMBL5171870		Ki	=	10.0	nM	494.6	Cc1cc(O[C@H]2C[C@@H](Oc3ccc(C(=N)N)c(C)c3)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)ccc1C(=N)N	Homo sapiens	CHEMBL5151881	single protein format
CHEMBL485694		Ki	=	12.0	nM	496.58	N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)cc3)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)cc1	Homo sapiens	CHEMBL998935	single protein format
CHEMBL5169903		Ki	=	20.0	nM	468.53	N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@H](Oc2ccc(C(=N)N)cn2)C[C@@H]1Oc1ccc(C(=N)N)cn1	Homo sapiens	CHEMBL5151881	single protein format
CHEMBL522615		Ki	=	22.0	nM	561.66	N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)c4ccccc34)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)c(N)c1	Homo sapiens	CHEMBL998935	single protein format
CHEMBL487946		Ki	=	42.0	nM	498.56	N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)cn3)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)nc1	Homo sapiens	CHEMBL998935	single protein format
CHEMBL506022		Ki	=	46.0	nM	587.69	N=C(N)Nc1ccc(N[C@H]2C[C@@H](NC(=N)N)[C@H](Oc3ccc(NC(=N)N)cc3)C[C@@H]2Oc2ccc(NC(=N)N)cc2)cc1	Homo sapiens	CHEMBL998935	single protein format
CHEMBL5186188		Ki	=	50.0	nM	566.67	N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@H](Oc2ccc(C(=N)N)c3ccccc23)C[C@@H]1Oc1ccc(C(=N)N)c2ccccc12	Homo sapiens	CHEMBL5151881	single protein format
CHEMBL505581		Ki	=	69.0	nM	596.7	N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)c4ccccc34)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)c2ccccc12	Homo sapiens	CHEMBL998935	single protein format
CHEMBL490273		Ki	=	89.0	nM	553.64	N=C(N)Nc1ccc(O[C@@H]2C[C@H](Oc3ccc(NC(=N)N)cc3NC(=N)N)[C@@H](NC(=N)N)C[C@H]2NC(=N)N)cc1	Homo sapiens	CHEMBL998935	single protein format
CHEMBL5194005		Ki	=	89.0	nM	553.64	N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)cc3NC(=N)N)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)cc1	Homo sapiens	CHEMBL5151874	single protein format
CHEMBL48199		Ki	=	100.0	nM	346.39	N=C(N)c1ccc(Oc2cccc(Oc3ccc(C(=N)N)cc3)c2)cc1	Homo sapiens	CHEMBL5151881	single protein format
CHEMBL5172987		Ki	=	100.0	nM	550.63	N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@H](Oc2ccc(C(=N)N)cc2C(=N)N)C[C@@H]1Oc1ccc(C(=N)N)cc1C(=N)N	Homo sapiens	CHEMBL5151881	single protein format