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TitleAtropisomerism by Design: Discovery of a Selective and Stable Phosphoinositide 3-Kinase (PI3K) beta Inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 6858-6868, Year 2018
Publish dateMay 18, 2018 (structure data deposition date)
AuthorsChandrasekhar, J. / Dick, R. / Van Veldhuizen, J. / Koditek, D. / Lepist, E.I. / McGrath, M.E. / Patel, L. / Phillips, G. / Sedillo, K. / Somoza, J.R. ...Chandrasekhar, J. / Dick, R. / Van Veldhuizen, J. / Koditek, D. / Lepist, E.I. / McGrath, M.E. / Patel, L. / Phillips, G. / Sedillo, K. / Somoza, J.R. / Therrien, J. / Till, N.A. / Treiberg, J. / Villasenor, A.G. / Zherebina, Y. / Perreault, S.
External linksJ. Med. Chem. / PubMed:30015489
MethodsX-ray diffraction
Resolution2.601 Å
Structure data

PDB-6dgt:
Selective PI3K beta inhibitor bound to PI3K delta
Method: X-RAY DIFFRACTION / Resolution: 2.601 Å

Chemicals

ChemComp-GFJ:
4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / PI3K delta / p110 / inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex

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