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TitleLead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 29, Page 1220-1226, Year 2019
Publish dateAug 28, 2018 (structure data deposition date)
AuthorsYang, S.M. / Yoshioka, M. / Strovel, J.W. / Urban, D.J. / Hu, X. / Hall, M.D. / Jadhav, A. / Maloney, D.J.
External linksBioorg. Med. Chem. Lett. / PubMed:30905542
MethodsX-ray diffraction
Resolution2.11 Å
Structure data

PDB-6mau:
Crystal structure of human BRD4(1) in complex with CN210 (compound 19)
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

Chemicals

ChemComp-JBS:
1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / BRD4(1)

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