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TitleDiscovery of Potent and Selective PI3K gamma Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 11235-11257, Year 2020
Publish dateJul 13, 2020 (structure data deposition date)
AuthorsDrew, S.L. / Thomas-Tran, R. / Beatty, J.W. / Fournier, J. / Lawson, K.V. / Miles, D.H. / Mata, G. / Sharif, E.U. / Yan, X. / Mailyan, A.K. ...Drew, S.L. / Thomas-Tran, R. / Beatty, J.W. / Fournier, J. / Lawson, K.V. / Miles, D.H. / Mata, G. / Sharif, E.U. / Yan, X. / Mailyan, A.K. / Ginn, E. / Chen, J. / Wong, K. / Soni, D. / Dhanota, P. / Chen, P.Y. / Shaqfeh, S.G. / Meleza, C. / Pham, A.T. / Chen, A. / Zhao, X. / Banuelos, J. / Jin, L. / Schindler, U. / Walters, M.J. / Young, S.W. / Walker, N.P. / Leleti, M.R. / Powers, J.P. / Jeffrey, J.L.
External linksJ. Med. Chem. / PubMed:32865410
MethodsX-ray diffraction
Resolution2.88 - 2.99 Å
Structure data

PDB-6xrl:
Crystal structure of human PI3K-gamma in complex with inhibitor IPI-549
Method: X-RAY DIFFRACTION / Resolution: 2.99 Å

PDB-6xrm:
Crystal structure of human PI3K-gamma in complex with Compound 4
Method: X-RAY DIFFRACTION / Resolution: 2.88 Å

Chemicals

ChemComp-V7Y:
2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-V81:
5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE inhibitor / Phosphoinositide 3-kinase gamma / inhibitor / immunosuppression / cancer / Proteros / TRANSFERASE / TRANSFERASE-TRANSFERASE inhibitor complex

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