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TitleSynthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 5714-5720, Year 2012
Publish dateMay 7, 2012 (structure data deposition date)
AuthorsWurz, R.P. / Liu, L. / Yang, K. / Nishimura, N. / Bo, Y. / Pettus, L.H. / Caenepeel, S. / Freeman, D.J. / McCarter, J.D. / Mullady, E.L. ...Wurz, R.P. / Liu, L. / Yang, K. / Nishimura, N. / Bo, Y. / Pettus, L.H. / Caenepeel, S. / Freeman, D.J. / McCarter, J.D. / Mullady, E.L. / Miguel, T.S. / Wang, L. / Zhang, N. / Andrews, K.L. / Whittington, D.A. / Jiang, J. / Subramanian, R. / Hughes, P.E. / Norman, M.H.
External linksBioorg. Med. Chem. Lett. / PubMed:22832322
MethodsX-ray diffraction
Resolution3 Å
Structure data

PDB-4f1s:
Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-F1S:
N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTransferase/Inhibitor / phosphotransferase / lipid kinase / p85 / Transferase-Inhibitor complex

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