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Title | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326). |
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Journal, issue, pages | J. Med. Chem., Vol. 59, Page 985-1002, Year 2016 |
Publish date | Sep 23, 2015 (structure data deposition date) |
Authors | Heffron, T.P. / Heald, R.A. / Ndubaku, C. / Wei, B. / Augistin, M. / Do, S. / Edgar, K. / Eigenbrot, C. / Friedman, L. / Gancia, E. ...Heffron, T.P. / Heald, R.A. / Ndubaku, C. / Wei, B. / Augistin, M. / Do, S. / Edgar, K. / Eigenbrot, C. / Friedman, L. / Gancia, E. / Jackson, P.S. / Jones, G. / Kolesnikov, A. / Lee, L.B. / Lesnick, J.D. / Lewis, C. / McLean, N. / Mortl, M. / Nonomiya, J. / Pang, J. / Price, S. / Prior, W.W. / Salphati, L. / Sideris, S. / Staben, S.T. / Steinbacher, S. / Tsui, V. / Wallin, J. / Sampath, D. / Olivero, A.G. |
External links | J. Med. Chem. / PubMed:26741947 |
Methods | X-ray diffraction |
Resolution | 2.25 - 3 Å |
Structure data | PDB-5dxh: PDB-5dxt: PDB-5dxu: |
Chemicals | ChemComp-5H2: ChemComp-5H5: ChemComp-EDO: ChemComp-HOH: |
Source |
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Keywords | Transferase/Transferase Inhibitor / lipid kinase / Transferase-Transferase Inhibitor complex / Transferase/Inhibitor / Transferase-Inhibitor complex / inhibitor |