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TitleDiscovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 2606-2613, Year 2013
Publish dateFeb 11, 2013 (structure data deposition date)
AuthorsStaben, S.T. / Ndubaku, C. / Blaquiere, N. / Belvin, M. / Bull, R.J. / Dudley, D. / Edgar, K. / Gray, D. / Heald, R. / Heffron, T.P. ...Staben, S.T. / Ndubaku, C. / Blaquiere, N. / Belvin, M. / Bull, R.J. / Dudley, D. / Edgar, K. / Gray, D. / Heald, R. / Heffron, T.P. / Jones, G.E. / Jones, M. / Kolesnikov, A. / Lee, L. / Lesnick, J. / Lewis, C. / Murray, J. / McLean, N.J. / Nonomiya, J. / Olivero, A.G. / Ord, R. / Pang, J. / Price, S. / Prior, W.W. / Rouge, L. / Salphati, L. / Sampath, D. / Wallin, J. / Wang, L. / Wei, B. / Weismann, C. / Wu, P.
External linksBioorg. Med. Chem. Lett. / PubMed:23540645
MethodsX-ray diffraction
Resolution2.9 Å
Structure data

PDB-4j6i:
Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

Chemicals

ChemComp-1JV:
2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / beta-sparing / SBDD / catalytic subunit gamma / phosphorylation / Transferase-Transferase Inhibitor complex

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