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TitleBiased multicomponent reactions to develop novel bromodomain inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 9019-9027, Year 2014
Publish dateSep 26, 2014 (structure data deposition date)
AuthorsMcKeown, M.R. / Shaw, D.L. / Fu, H. / Liu, S. / Xu, X. / Marineau, J.J. / Huang, Y. / Zhang, X. / Buckley, D.L. / Kadam, A. ...McKeown, M.R. / Shaw, D.L. / Fu, H. / Liu, S. / Xu, X. / Marineau, J.J. / Huang, Y. / Zhang, X. / Buckley, D.L. / Kadam, A. / Zhang, Z. / Blacklow, S.C. / Qi, J. / Zhang, W. / Bradner, J.E.
External linksJ. Med. Chem. / PubMed:25314271
MethodsX-ray diffraction
Resolution1.56 Å
Structure data

PDB-4wiv:
Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE)
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

Chemicals

ChemComp-3P2:
N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordstranscription/transcription inhibitor / Drug Discovery / Epigenesis / Structure-Activity Relationship / Tumor / transcription-transcription inhibitor complex

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