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TitleDiscovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 3741-3748, Year 2013
Publish dateMar 19, 2013 (structure data deposition date)
AuthorsFuret, P. / Guagnano, V. / Fairhurst, R.A. / Imbach-Weese, P. / Bruce, I. / Knapp, M. / Fritsch, C. / Blasco, F. / Blanz, J. / Aichholz, R. ...Furet, P. / Guagnano, V. / Fairhurst, R.A. / Imbach-Weese, P. / Bruce, I. / Knapp, M. / Fritsch, C. / Blasco, F. / Blanz, J. / Aichholz, R. / Hamon, J. / Fabbro, D. / Caravatti, G.
External linksBioorg. Med. Chem. Lett. / PubMed:23726034
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-4jps:
Co-crystal Structures of the Lipid Kinase PI3K alpha with Pan and Isoform Selective Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-SCN:
THIOCYANATE ION

ChemComp-1LT:
(2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide / medication*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Class I Phosphatidylinositol 3-Kinases / p85 alpha / TRANSFERASE-TRANSFERASE INHIBITOR complex

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