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TitleDiscovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay.
Journal, issue, pagesMedchemcomm, Vol. 8, Page 1322-1331, Year 2017
Publish dateOct 13, 2016 (structure data deposition date)
AuthorsChen, Z. / Zhang, H. / Liu, S. / Xie, Y. / Jiang, H. / Lu, W. / Xu, H. / Yue, L. / Zhang, Y. / Ding, H. ...Chen, Z. / Zhang, H. / Liu, S. / Xie, Y. / Jiang, H. / Lu, W. / Xu, H. / Yue, L. / Zhang, Y. / Ding, H. / Zheng, M. / Yu, K. / Chen, K. / Luo, C.
External linksMedchemcomm / PubMed:30108844
MethodsX-ray diffraction
Resolution1.591 Å
Structure data

PDB-5h21:
Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4
Method: X-RAY DIFFRACTION / Resolution: 1.591 Å

Chemicals

ChemComp-RMR:
3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsPEPTIDE BINDING PROTEIN/INHIBITOR / BRD4 / Inhibitor / PEPTIDE BINDING PROTEIN-INHIBITOR complex

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