3D structures mapped by conservation among orthologs

[ Domain: "FAD-linked reductases-C" // Amino_oxidase_2nd_1 ]

 PyMOL session

[ Domain: "FAD/NAD(P)-binding domain" // Amino_oxidase_1st ]

 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
CHEMBL5200566		IC50	<	0.1	nM	452.0	C#CCN(C)CCCOc1cc(NC(=O)CCCCCCCCC(=O)NO)ccc1Cl	Homo sapiens	CHEMBL5157482	cell-based format
CHEMBL209413		IC50	=	0.1	nM	356.3	COc1ccc2c(c1)-c1nnc(-c3cccc(C(F)(F)F)c3)cc1C2=O	Homo sapiens	CHEMBL862690	mitochondrion format
CHEMBL5178014		IC50	=	0.4	nM	401.89	C#CCN(C)CCCOc1cc(NCc2ccc(C(=O)NO)cc2)ccc1Cl	Homo sapiens	CHEMBL5157482	cell-based format
CHEMBL3415804		IC50	=	0.72	nM	265.26	C#CCN(C)CC(=C)c1ccoc1.O=C(O)C(=O)O	Homo sapiens	CHEMBL3418527	cell-based format
CHEMBL1651055		IC50	=	0.83	nM	261.28	COc1cc2c3c(nccc3c1)-c1ccccc1C2=O	Homo sapiens	CHEMBL1920950	cell-based format
CHEMBL3415795		IC50	=	0.85	nM	300.63	C#CCN(C)CC(=C)c1ccc(Br)cc1.Cl	Homo sapiens	CHEMBL3418527	cell-based format
CHEMBL3415817		IC50	=	1.0	nM	344.19	C#CCN(C)CC(=C)c1ccc(Cl)c(Cl)c1.O=C(O)C(=O)O	Homo sapiens	CHEMBL3418527	cell-based format
CHEMBL3415783		IC50	=	1.4	nM	399.42	C#CCN(C)CC(=C)c1cccc(COc2ccc(F)cc2)c1.O=C(O)C(=O)O	Homo sapiens	CHEMBL3418527	cell-based format
CHEMBL3408926		IC50	=	1.6	nM	426.48	C/C(=N\NC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)c1ccc(O)cc1	Homo sapiens	CHEMBL5114232	single protein format
CHEMBL3415611		IC50	=	1.9	nM	385.39	C#CCNCC(=C)c1cccc(OCc2cccc(F)c2)c1.O=C(O)C(=O)O	Homo sapiens	CHEMBL3418527	cell-based format
CHEMBL3585822		IC50	=	2.1	nM	340.34	NNC(=O)CN1C(=O)c2ccccc2NC1c1ccc2c(c1)OCO2	Homo sapiens	CHEMBL5127045	single protein format
CHEMBL3415816		IC50	=	2.3	nM	311.28	C#CCN(C)CC(=C)c1ccc(F)c(F)c1.O=C(O)C(=O)O	Homo sapiens	CHEMBL3418527	cell-based format
CHEMBL1258839		IC50	=	2.7	nM	350.38	O=C(c1ccccc1)c1nc2ccccc2n2c(-c3ccccc3)nnc12	Homo sapiens	CHEMBL1261743	single protein format
CHEMBL1258610		IC50	=	2.7	nM	393.45	CN(C)c1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1	Homo sapiens	CHEMBL1261743	single protein format
CHEMBL1257814		IC50	=	2.8	nM	368.44	C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1	Homo sapiens	CHEMBL1261743	single protein format
CHEMBL4161420		IC50	=	3.0	nM	516.65	Cc1ccc(NC(=S)N/N=C/c2ccc(-n3nc4c(c3C)N(C)S(=O)(=O)c3ccccc3-4)cc2)cc1	Homo sapiens	CHEMBL4138635	single protein format
CHEMBL1257932		IC50	=	3.4	nM	354.41	Oc1ccc(/C=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc1	Homo sapiens	CHEMBL1261743	single protein format
CHEMBL3415805		IC50	=	3.4	nM	227.76	C#CCN(C)CC(=C)c1cccs1.Cl	Homo sapiens	CHEMBL3418527	cell-based format
CHEMBL3415798		IC50	=	3.7	nM	239.72	C#CCN(C)CC(=C)c1ccc(F)cc1.Cl	Homo sapiens	CHEMBL3418527	cell-based format
CHEMBL488073		IC50	=	3.78	nM	286.33	CC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3	Homo sapiens	CHEMBL965566	single protein format