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TitleStructure-based design of thienobenzoxepin inhibitors of PI3-kinase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 4054-4058, Year 2011
Publish dateMar 22, 2011 (structure data deposition date)
AuthorsStaben, S.T. / Siu, M. / Goldsmith, R. / Olivero, A.G. / Do, S. / Burdick, D.J. / Heffron, T.P. / Dotson, J. / Sutherlin, D.P. / Zhu, B.Y. ...Staben, S.T. / Siu, M. / Goldsmith, R. / Olivero, A.G. / Do, S. / Burdick, D.J. / Heffron, T.P. / Dotson, J. / Sutherlin, D.P. / Zhu, B.Y. / Tsui, V. / Le, H. / Lee, L. / Lesnick, J. / Lewis, C. / Murray, J.M. / Nonomiya, J. / Pang, J. / Prior, W.W. / Salphati, L. / Rouge, L. / Sampath, D. / Sideris, S. / Wiesmann, C. / Wu, P.
External linksBioorg. Med. Chem. Lett. / PubMed:21636270
MethodsX-ray diffraction
Resolution2.5 - 2.9 Å
Structure data

PDB-3r7q:
Structure-based design of thienobenzoxepin inhibitors of PI3- kinase
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3r7r:
Structure-based design of thienobenzoxepin inhibitors of PI3-Kinase
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

Chemicals

ChemComp-FAV:
N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

ChemComp-FAZ:
8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / kinase p110 / TRANSFERASE-TRANSFERASE INHIBITOR complex

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