3D structures mapped by conservation among orthologs

[ Domain: "Bromodomain" // Bromodomain ]

 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
CHEMBL5177096		IC50	=	8.9	nM	263.3	Nc1nnc(-c2ccccc2O)cc1-c1ccccc1	Homo sapiens	CHEMBL5142212	single protein format
CHEMBL5180611		IC50	=	160.0	nM	317.19	Cc1cccc(C2NC(=O)c3c(Br)cccc3N2)c1	Homo sapiens	CHEMBL5112650	assay format
CHEMBL3823055		IC50	=	200.0	nM	302.8	CCC(/C=C1\CCn2c1nc(=O)c1c(Cl)cccc12)CC	Homo sapiens	CHEMBL5112650	assay format
CHEMBL5195502		IC50	=	200.0	nM	272.74	Cc1ccccc1C1NC(=O)c2c(Cl)cccc2N1	Homo sapiens	CHEMBL5112650	assay format
CHEMBL5187356		IC50	=	220.0	nM	286.76	Cc1cccc(C2NC(=O)c3c(Cl)cccc3N2)c1C	Homo sapiens	CHEMBL5112650	assay format
CHEMBL5170275		IC50	=	260.0	nM	272.74	Cc1cccc(C2NC(=O)c3c(Cl)cccc3N2)c1	Homo sapiens	CHEMBL5112650	assay format
CHEMBL5207236		IC50	=	290.0	nM	286.76	Cc1cccc(C)c1C1NC(=O)c2c(Cl)cccc2N1	Homo sapiens	CHEMBL5112650	assay format
CHEMBL5184118		IC50	=	290.0	nM	317.19	Cc1ccccc1C1NC(=O)c2c(Br)cccc2N1	Homo sapiens	CHEMBL5112650	assay format
CHEMBL5185774		IC50	=	430.0	nM	286.76	Cc1ccc(C)c(C2NC(=O)c3c(Cl)cccc3N2)c1	Homo sapiens	CHEMBL5112650	assay format
CHEMBL3752911		IC50	=	550.3	nM	321.38	O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O	Homo sapiens	CHEMBL4650019	single protein format
CHEMBL5195542		IC50	=	860.0	nM	286.76	Cc1ccc(C2NC(=O)c3c(Cl)cccc3N2)c(C)c1	Homo sapiens	CHEMBL5112650	assay format
CHEMBL5194300		IC50	=	870.0	nM	272.74	Cc1ccc(C2NC(=O)c3c(Cl)cccc3N2)cc1	Homo sapiens	CHEMBL5112650	assay format
CHEMBL5204703		IC50	=	1000.0	nM	311.14	O=C1NC(c2c(F)cccc2Cl)Nc2cccc(Cl)c21	Homo sapiens	CHEMBL5112650	assay format