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
CHEMBL348961		IC50	=	0.014	nM	322.29	Cc1cc2c(nn1)-c1cc(OCCCC(F)(F)F)ccc1C2=O	Homo sapiens	CHEMBL734179	tissue-based format
CHEMBL4129303		IC50	=	0.134	nM	315.17	Cc1ccc2oc(=O)c(-c3cccc(Br)c3)cc2c1	Homo sapiens	CHEMBL4125640	single protein format
CHEMBL3319268		IC50	=	0.227	nM	305.16	O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2[nH]ccc2c1	Homo sapiens	CHEMBL3364094	cell-based format
CHEMBL1835228		IC50	=	0.31	nM	250.3	Cc1ccc(-c2cc3cc(C)ccc3oc2=O)cc1	Homo sapiens	CHEMBL1838814	cell-based format
CHEMBL414637		IC50	=	0.318	nM	258.24	O=C1CCc2cc(OCCCC(F)(F)F)ccc21	Homo sapiens	CHEMBL734178	single protein format
CHEMBL4861804		IC50	=	0.35	nM	321.49	C#CCNC1CCc2c(SCCc3cccc(C)c3)cccc21	Homo sapiens	CHEMBL4812791	single protein format
CHEMBL3359944		IC50	=	0.37	nM	349.21	O=c1cc(CCCl)c2ccc(OCc3cccc(Cl)c3)cc2o1	Homo sapiens	CHEMBL5353217	single protein format
CHEMBL5407170		IC50	=	0.37	nM	272.27	O=C1CCc2ccc(OCc3ccccc3F)cc2O1	Homo sapiens	CHEMBL5353217	single protein format
CHEMBL3319256		IC50	=	0.386	nM	320.18	Cn1ncc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21	Homo sapiens	CHEMBL3364094	cell-based format
CHEMBL4206812		IC50	=	0.4	nM	299.71	O=C(Nc1cccc(Cl)c1)c1coc2ccccc2c1=O	Homo sapiens	CHEMBL4478104	cell-based format
CHEMBL4068321		IC50	=	0.5	nM	331.17	O=c1ccc2ccc(OCc3ccc(Br)cc3)cc2o1	Homo sapiens	CHEMBL4042091	single protein format
CHEMBL3319244		IC50	=	0.586	nM	306.15	O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2[nH]ncc2c1	Homo sapiens	CHEMBL3364094	cell-based format
CHEMBL3121793		IC50	=	0.588	nM	328.3	COC(=O)c1cc2ccc(OCc3cccc(F)c3)cc2oc1=O	Homo sapiens	CHEMBL3122614	cell-based format
CHEMBL3319272		IC50	=	0.612	nM	290.15	Clc1ccc(/N=C/c2ccc3[nH]ncc3c2)cc1Cl	Homo sapiens	CHEMBL3364094	cell-based format
CHEMBL1642678		IC50	=	0.66	nM	279.34	O=C1Nc2ccc(CCCCc3ccccc3)cc2C1=O	Homo sapiens	CHEMBL1648131	cell-based format
CHEMBL4061639		IC50	=	0.662	nM	303.72	Cn1ncc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc21	Homo sapiens	CHEMBL3996824	cell-based format
CHEMBL3319247		IC50	=	0.668	nM	289.7	O=C(Nc1ccc(Cl)c(F)c1)c1ccc2[nH]ncc2c1	Homo sapiens	CHEMBL3364094	cell-based format
CHEMBL4209203		IC50	=	0.67	nM	293.32	Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C	Homo sapiens	CHEMBL4478104	cell-based format
CHEMBL3317469		IC50	=	0.679	nM	289.7	O=C(Nc1ccc(F)c(Cl)c1)c1ccc2[nH]ncc2c1	Homo sapiens	CHEMBL3364094	cell-based format
CHEMBL5174789		IC50	=	0.7	nM	401.51	COc1cccc(Cn2ccc3c(N4CCC(OC)CC4)nc4ccccc4c32)c1	Homo sapiens	CHEMBL5164095	single protein format