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TitlePseudo-Cyclization through Intramolecular Hydrogen Bond Enables Discovery of Pyridine Substituted Pyrimidines as New Mer Kinase Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 9683-9692, Year 2013
Publish dateAug 6, 2013 (structure data deposition date)
AuthorsZhang, W. / Zhang, D. / Stashko, M.A. / Deryckere, D. / Hunter, D. / Kireev, D. / Miley, M.J. / Cummings, C. / Lee, M. / Norris-Drouin, J. ...Zhang, W. / Zhang, D. / Stashko, M.A. / Deryckere, D. / Hunter, D. / Kireev, D. / Miley, M.J. / Cummings, C. / Lee, M. / Norris-Drouin, J. / Stewart, W.M. / Sather, S. / Zhou, Y. / Kirkpatrick, G. / Machius, M. / Janzen, W.P. / Earp, H.S. / Graham, D.K. / Frye, S.V. / Wang, X.
External linksJ. Med. Chem. / PubMed:24195762
MethodsX-ray diffraction
Resolution2.718 Å
Structure data

PDB-4m3q:
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1917
Method: X-RAY DIFFRACTION / Resolution: 2.718 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-24K:
trans-4-{[2-(butylamino)-5-(pyridin-2-yl)pyrimidin-4-yl]amino}cyclohexanol

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / TYROSINE KINASE / ACUTE LYMPHOBLASTIC LEUKEMIA / RATIONAL STRUCTURE-BASED DRUG DESIGN / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX

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