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Structure paper

TitleDesign of Selective Benzoxazepin PI3K delta Inhibitors Through Control of Dihedral Angles.
Journal, issue, pagesACS Med Chem Lett, Vol. 8, Page 936-940, Year 2017
Publish dateAug 31, 2017 (structure data deposition date)
AuthorsSafina, B.S. / Elliott, R.L. / Forrest, A.K. / Heald, R.A. / Murray, J.M. / Nonomiya, J. / Pang, J. / Salphati, L. / Seward, E.M. / Staben, S.T. ...Safina, B.S. / Elliott, R.L. / Forrest, A.K. / Heald, R.A. / Murray, J.M. / Nonomiya, J. / Pang, J. / Salphati, L. / Seward, E.M. / Staben, S.T. / Ultsch, M. / Wei, B. / Yang, W. / Sutherlin, D.P.
External linksACS Med Chem Lett / PubMed:28947940
MethodsX-ray diffraction
Resolution2.015 Å
Structure data

PDB-6aud:
PI3K-gamma K802T in complex with Cpd 8 10-((1-(tert-butyl)piperidin-4-yl)sulfinyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine
Method: X-RAY DIFFRACTION / Resolution: 2.015 Å

Chemicals

ChemComp-BWY:
10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHBITOR / p110 delta / SBDD / TRANSFERASE-TRANSFERASE INHBITOR complex

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