3D structures mapped by conservation among orthologs

[ Domain: "FAD/NAD-linked reduatases, dimerisation (C-terminal) domain" // Pyr_redox_dim ]

 PyMOL session

[ Domain: "FAD/NAD(P)-binding domain" // Pyr_redox_2_1 ]

 PyMOL session

[ Domain: "FAD/NAD(P)-binding domain" // Pyr_redox_2 ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 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
CHEMBL4859206		IC50	=	9.21	nM	306.24	Oc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1	Homo sapiens	CHEMBL4837833	single protein format
CHEMBL1876217		IC50	=	13.19	nM	238.25	Oc1ccccc1-c1nc(-c2ccccc2)no1	Homo sapiens	CHEMBL4837833	single protein format
CHEMBL4849098		IC50	=	17.89	nM	252.27	Oc1ccccc1-c1nc(Cc2ccccc2)no1	Homo sapiens	CHEMBL4837833	single protein format
CHEMBL388978		IC50	=	43.18	nM	466.54	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	Homo sapiens	CHEMBL4837833	single protein format
CHEMBL4757091		IC50	=	200.0	nM	256.3	COc1cc(/C=C/C=C2\CCC=CC2=O)ccc1O	Homo sapiens	CHEMBL4671982	cell-based format
CHEMBL4755909		IC50	=	200.0	nM	253.34	CN(C)c1ccc(/C=C/C=C2\CCC=CC2=O)cc1	Homo sapiens	CHEMBL4671982	cell-based format
CHEMBL4798017		IC50	=	400.0	nM	240.3	COc1ccc(/C=C/C=C2\CCC=CC2=O)cc1	Homo sapiens	CHEMBL4671982	cell-based format
CHEMBL4763453		IC50	=	600.0	nM	228.27	O=C1C=CCC/C1=C\C=C\c1ccc(F)cc1	Homo sapiens	CHEMBL4671982	cell-based format
CHEMBL4577957		IC50	=	760.0	nM	450.58	COc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)/C=C/C(=O)c2ccc(C)cc2)C(C)C)cc1	Homo sapiens	CHEMBL4362337	single protein format
CHEMBL4562297		IC50	=	820.0	nM	440.49	CC(C)(C)NC(=O)C(c1ccc(F)cc1)N(C(=O)/C=C/C(=O)c1ccc(F)cc1)C1CC1	Homo sapiens	CHEMBL4362337	single protein format
CHEMBL4459518		IC50	=	960.0	nM	458.51	CN(CCOC(=O)/C=C/C(=O)c1ccc(F)cc1)C(C(=O)NC(C)(C)C)c1ccc(F)cc1	Homo sapiens	CHEMBL4362337	single protein format