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Title(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 6241-6261, Year 2019
Publish dateMar 15, 2019 (structure data deposition date)
AuthorsRageot, D. / Bohnacker, T. / Keles, E. / McPhail, J.A. / Hoffmann, R.M. / Melone, A. / Borsari, C. / Sriramaratnam, R. / Sele, A.M. / Beaufils, F. ...Rageot, D. / Bohnacker, T. / Keles, E. / McPhail, J.A. / Hoffmann, R.M. / Melone, A. / Borsari, C. / Sriramaratnam, R. / Sele, A.M. / Beaufils, F. / Hebeisen, P. / Fabbro, D. / Hillmann, P. / Burke, J.E. / Wymann, M.P.
External linksJ. Med. Chem. / PubMed:31244112
MethodsX-ray diffraction
Resolution3.15 Å
Structure data

PDB-6oac:
PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine] bound to the PI3Ka catalytic subunit p110alpha
Method: X-RAY DIFFRACTION / Resolution: 3.15 Å

Chemicals

ChemComp-M1J:
4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / PIK3CA / mTOR / phosphoinositide / PIP3 / PI3K / p110 / SIGNALING PROTEIN

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