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Title5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PQR309), a Potent, Brain-Penetrant, Orally Bioavailable, Pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 7524-7538, Year 2017
Publish dateAug 10, 2017 (structure data deposition date)
AuthorsBeaufils, F. / Cmiljanovic, N. / Cmiljanovic, V. / Bohnacker, T. / Melone, A. / Marone, R. / Jackson, E. / Zhang, X. / Sele, A. / Borsari, C. ...Beaufils, F. / Cmiljanovic, N. / Cmiljanovic, V. / Bohnacker, T. / Melone, A. / Marone, R. / Jackson, E. / Zhang, X. / Sele, A. / Borsari, C. / Mestan, J. / Hebeisen, P. / Hillmann, P. / Giese, B. / Zvelebil, M. / Fabbro, D. / Williams, R.L. / Rageot, D. / Wymann, M.P.
External linksJ. Med. Chem. / PubMed:28829592
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-5oq4:
PQR309 - a Potent, Brain-Penetrant, Orally Bioavailable, pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-A3W:
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / PI3K / 3-kinase / lipid kinase / kinase / inhibitor / PQR309 / NCB5

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