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TitleDiscovery of a new series of PI3K-delta inhibitors from Virtual Screening.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 42, Page 128046-128046, Year 2021
Publish dateFeb 12, 2021 (structure data deposition date)
AuthorsFradera, X. / Deng, Q. / Achab, A. / Garcia, Y. / Kattar, S.D. / McGowan, M.A. / Methot, J.L. / Wilson, K. / Zhou, H. / Shaffer, L. ...Fradera, X. / Deng, Q. / Achab, A. / Garcia, Y. / Kattar, S.D. / McGowan, M.A. / Methot, J.L. / Wilson, K. / Zhou, H. / Shaffer, L. / Goldenblatt, P. / Tong, V. / Augustin, M.A. / Altman, M.D. / Lesburg, C.A. / Shah, S. / Katz, J.D.
External linksBioorg. Med. Chem. Lett. / PubMed:33865969
MethodsX-ray diffraction
Resolution2.96 Å
Structure data

PDB-7lq1:
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 28
Method: X-RAY DIFFRACTION / Resolution: 2.96 Å

Chemicals

ChemComp-YA7:
N-(5-(6-(2-((2S,6R)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / PI3KDELTA KINASE / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX

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