3D structures mapped by conservation among orthologs

[ Domain: "Bromodomain" // Bromodomain ]

 PyMOL session

[ Domain: "FYVE/PHD zinc finger" // PHD_1 ]

 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
CHEMBL3775251		IC50	=	7.9	nM	558.66	CCCOc1cc(OCCCCN)cc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)c1	Homo sapiens	CHEMBL3779310	cell-based format
CHEMBL3775901		IC50	=	10.0	nM	586.72	CCCOc1cc(OCCCCCCN)cc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)c1	Homo sapiens	CHEMBL3779310	cell-based format
CHEMBL3775348		IC50	=	11.0	nM	572.69	CCCOc1cc(OCCCCCN)cc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)c1	Homo sapiens	CHEMBL3779310	cell-based format
CHEMBL3775853		IC50	=	43.0	nM	527.6	CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)c1	Homo sapiens	CHEMBL3779310	cell-based format
CHEMBL3775073		IC50	=	53.0	nM	485.57	CCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)c(C)n2)n(C)c(=O)n3C)c1	Homo sapiens	CHEMBL3779310	cell-based format
CHEMBL3774507		IC50	=	57.0	nM	499.59	Cc1nc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCC(C)C)c2)n(C)c(=O)n3C)cn1C	Homo sapiens	CHEMBL3779310	cell-based format
CHEMBL3774770		IC50	=	60.0	nM	587.7	CCCOc1cc(OCCCCCCO)cc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)c1	Homo sapiens	CHEMBL3779310	cell-based format
CHEMBL3775689		IC50	=	100.0	nM	513.58	Cn1cnc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCC4CCOC4)c2)n(C)c(=O)n3C)c1	Homo sapiens	CHEMBL3779310	cell-based format
CHEMBL3775132		IC50	=	110.0	nM	445.54	CC(C)COc1cccc(Oc2cc3c(cc2NS(=O)(=O)C2CC2)n(C)c(=O)n3C)c1	Homo sapiens	CHEMBL3779310	cell-based format
CHEMBL3774529		IC50	=	130.0	nM	515.59	COCCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)c(C)n2)n(C)c(=O)n3C)c1	Homo sapiens	CHEMBL3779310	cell-based format
CHEMBL4572394		IC50	=	133.4	nM	175.23	O=Cc1ccc(N2CCCC2)cc1	Homo sapiens	CHEMBL4418856	single protein format
CHEMBL18620		IC50	=	135.8	nM	84.12	O=C1CCCC1	Homo sapiens	CHEMBL4418856	single protein format
CHEMBL3775263		IC50	=	140.0	nM	575.64	COc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCc4ccccc4)c2)n(C)c(=O)n3C)cc1OC	Homo sapiens	CHEMBL3779310	cell-based format
CHEMBL4467793		IC50	=	156.6	nM	159.19	Cc1cccc2c(C=O)c[nH]c12	Homo sapiens	CHEMBL4418856	single protein format
CHEMBL3774452		IC50	=	160.0	nM	499.59	CCCCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)c(C)n2)n(C)c(=O)n3C)c1	Homo sapiens	CHEMBL3779310	cell-based format
CHEMBL13883		IC50	=	162.0	nM	152.15	COc1cc(C=O)ccc1O	Homo sapiens	CHEMBL4418856	single protein format
CHEMBL4592980		IC50	=	164.8	nM	226.23	O=Cc1cccc(-c2ccc(C(=O)O)cc2)c1	Homo sapiens	CHEMBL4418856	single protein format
CHEMBL18737		IC50	=	166.3	nM	126.2	O=C1CCCCCCC1	Homo sapiens	CHEMBL4418856	single protein format
CHEMBL3774653		IC50	=	180.0	nM	471.54	CCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)c(C)n2)n(C)c(=O)n3C)c1	Homo sapiens	CHEMBL3779310	cell-based format
CHEMBL2229659		IC50	=	180.2	nM	109.13	Cn1cccc1C=O	Homo sapiens	CHEMBL4418856	single protein format