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TitleOptimization of Versatile Oxindoles as Selective PI3K delta Inhibitors.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 2461-2469, Year 2020
Publish dateJul 23, 2020 (structure data deposition date)
AuthorsMethot, J.L. / Achab, A. / Christopher, M. / Zhou, H. / McGowan, M.A. / Trotter, B.W. / Fradera, X. / Lesburg, C.A. / Goldenblatt, P. / Hill, A. ...Methot, J.L. / Achab, A. / Christopher, M. / Zhou, H. / McGowan, M.A. / Trotter, B.W. / Fradera, X. / Lesburg, C.A. / Goldenblatt, P. / Hill, A. / Chen, D. / Otte, K.M. / Augustin, M. / Shah, S. / Katz, J.D.
External linksAcs Med. Chem. Lett. / PubMed:33335668
MethodsX-ray diffraction
Resolution2.12 - 2.42 Å
Structure data

PDB-7jis:
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 2F
Method: X-RAY DIFFRACTION / Resolution: 2.42 Å

PDB-7jiu:
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 2F
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

Chemicals

ChemComp-VBS:
(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • bos taurus (domestic cattle)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / PI3KDELTA KINASE / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX / PI3KALPHA KINASE

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