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TitleDiscovery and lead identification of quinazoline-based BRD4 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 28, Page 3483-3488, Year 2018
Publish dateJul 17, 2018 (structure data deposition date)
AuthorsYang, S.M. / Urban, D.J. / Yoshioka, M. / Strovel, J.W. / Fletcher, S. / Wang, A.Q. / Xu, X. / Shah, P. / Hu, X. / Hall, M.D. ...Yang, S.M. / Urban, D.J. / Yoshioka, M. / Strovel, J.W. / Fletcher, S. / Wang, A.Q. / Xu, X. / Shah, P. / Hu, X. / Hall, M.D. / Jadhav, A. / Maloney, D.J.
External linksBioorg. Med. Chem. Lett. / PubMed:30268702
MethodsX-ray diffraction
Resolution1.26 Å
Structure data

PDB-6e4a:
Crystal structure of human BRD4(1) in complex with CN750
Method: X-RAY DIFFRACTION / Resolution: 1.26 Å

Chemicals

ChemComp-HRY:
5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / BRD4(BD1)

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