3D structures mapped by conservation among orthologs

[ Domain: "C2 domain" // YEATS ]

 PyMOL session

[ Domain: "Bromodomain-containing protein 4 ET domain" // BET_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
CHEMBL5429859		IC50	=	120.0	nM	343.38	CN(C)C(=O)c1ccc(-c2cc(C(=O)NC3CCCC3)no2)cc1O	Homo sapiens	CHEMBL5357478	single protein format
CHEMBL5421606		IC50	=	200.0	nM	323.35	O=C(NC1CCCC1)c1cc(-c2cc(O)c3cccnc3c2)on1	Homo sapiens	CHEMBL5357478	single protein format
CHEMBL4800073		IC50	=	254.0	nM	385.47	C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4cnccc4c3)ccc2[nH]1	Homo sapiens	CHEMBL5210480	single protein format
CHEMBL5416331		IC50	=	500.0	nM	271.32	O=C(NC1CCCC1)c1cn(-c2cccc(O)c2)cn1	Homo sapiens	CHEMBL5357478	single protein format
CHEMBL5398308		IC50	=	500.0	nM	306.75	O=C(NC1CCCC1)c1cc(-c2ccc(Cl)c(O)c2)on1	Homo sapiens	CHEMBL5357478	single protein format
CHEMBL4552313		IC50	=	600.0	nM	388.48	C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4c(cnn4C)c3)ccc2[nH]1	Homo sapiens	CHEMBL5357498	cell-based format
CHEMBL5439680		IC50	=	630.0	nM	272.3	O=C(NC1CCCC1)c1cc(-c2cccc(O)c2)on1	Homo sapiens	CHEMBL5357478	single protein format
CHEMBL4865432		IC50	=	729.0	nM	377.38	O=C(NCc1ccc(CNc2ncc(F)cn2)cc1)c1ccc2nncn2c1	Homo sapiens	CHEMBL4810341	single protein format
CHEMBL4752253		IC50	=	760.0	nM	391.43	CN(C)C(=O)c1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)no2)cc1O	Homo sapiens	CHEMBL5210214	assay format
CHEMBL4863719		IC50	=	984.0	nM	321.38	O=C(NCc1ccc(CN2CCC2)cc1)c1ccc2nncn2c1	Homo sapiens	CHEMBL4810341	single protein format