3D structures mapped by conservation among orthologs

[ Domain: "FAD-linked reductases-C" // KOG2614 ]

 PyMOL session

[ Domain: "FAD/NAD(P)-binding domain" // FAD_binding_3_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
CHEMBL3407904		IC50	=	0.2	nM	252.63	O=C(O)c1cc(-c2cccc(Cl)c2F)ncn1	Homo sapiens	CHEMBL3413142	single protein format
CHEMBL3903832		IC50	=	0.2	nM	236.18	O=C(O)c1nccc(-c2ccc(F)c(F)c2)n1	Homo sapiens	CHEMBL3871819	single protein format
CHEMBL3407905		IC50	=	0.2	nM	236.18	O=C(O)c1cc(-c2ccc(F)c(F)c2)ncn1	Homo sapiens	CHEMBL3413142	single protein format
CHEMBL3931822		IC50	=	0.2	nM	252.63	O=C(O)c1nccc(-c2cccc(Cl)c2F)n1	Homo sapiens	CHEMBL3871819	single protein format
CHEMBL3407903		IC50	=	0.3	nM	252.63	O=C(O)c1cc(-c2ccc(Cl)c(F)c2)ncn1	Homo sapiens	CHEMBL3413142	single protein format
CHEMBL3407901		IC50	=	0.3	nM	218.19	O=C(O)c1cc(-c2cccc(F)c2)ncn1	Homo sapiens	CHEMBL3413142	single protein format
CHEMBL3921825		IC50	=	0.3	nM	218.19	O=C(O)c1nccc(-c2cccc(F)c2)n1	Homo sapiens	CHEMBL3871819	single protein format
CHEMBL3894894		IC50	=	0.3	nM	252.63	O=C(O)c1nccc(-c2ccc(Cl)c(F)c2)n1	Homo sapiens	CHEMBL3871819	single protein format
CHEMBL3407922		IC50	=	0.5	nM	290.71	O=C(O)c1cc(-c2ccc(OC3CC3)c(Cl)c2)ncn1	Homo sapiens	CHEMBL3413142	single protein format
CHEMBL3407865		IC50	=	0.5	nM	234.64	O=C(O)c1cc(-c2cccc(Cl)c2)ncn1	Homo sapiens	CHEMBL3413142	single protein format
CHEMBL4740126		IC50	=	0.5	nM	290.71	O=C(O)c1cc(-c2ccc(Cl)c(OC3CC3)c2)ncn1	Homo sapiens	CHEMBL4679422	single protein format
CHEMBL3960765		IC50	=	0.5	nM	290.71	O=C(O)c1nccc(-c2ccc(OC3CC3)c(Cl)c2)n1	Homo sapiens	CHEMBL3871819	single protein format
CHEMBL3407866		IC50	=	0.6	nM	269.09	O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1	Homo sapiens	CHEMBL3413142	single protein format
CHEMBL3949189		IC50	=	0.7	nM	248.67	Cc1ccc(-c2ccnc(C(=O)O)n2)cc1Cl	Homo sapiens	CHEMBL3871819	single protein format
CHEMBL3407913		IC50	=	0.7	nM	248.67	Cc1ccc(-c2cc(C(=O)O)ncn2)cc1Cl	Homo sapiens	CHEMBL3413142	single protein format
CHEMBL3930333		IC50	=	0.9	nM	232.21	Cc1ccc(-c2ccnc(C(=O)O)n2)cc1F	Homo sapiens	CHEMBL3871819	single protein format
CHEMBL3407902		IC50	=	0.9	nM	252.63	O=C(O)c1cc(-c2ccc(F)c(Cl)c2)ncn1	Homo sapiens	CHEMBL3413142	single protein format
CHEMBL3407914		IC50	=	0.9	nM	232.21	Cc1ccc(-c2cc(C(=O)O)ncn2)cc1F	Homo sapiens	CHEMBL3413142	single protein format
CHEMBL3922876		IC50	=	0.9	nM	252.63	O=C(O)c1nccc(-c2ccc(F)c(Cl)c2)n1	Homo sapiens	CHEMBL3871819	single protein format
CHEMBL3407920		IC50	=	1.2	nM	264.67	COc1ccc(-c2cc(C(=O)O)ncn2)cc1Cl	Homo sapiens	CHEMBL3413142	single protein format