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Title | Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants. |
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Journal, issue, pages | J. Med. Chem., Vol. 59, Page 2005-2024, Year 2016 |
Publish date | Jan 8, 2016 (structure data deposition date) |
Authors | Cheng, H. / Nair, S.K. / Murray, B.W. / Almaden, C. / Bailey, S. / Baxi, S. / Behenna, D. / Cho-Schultz, S. / Dalvie, D. / Dinh, D.M. ...Cheng, H. / Nair, S.K. / Murray, B.W. / Almaden, C. / Bailey, S. / Baxi, S. / Behenna, D. / Cho-Schultz, S. / Dalvie, D. / Dinh, D.M. / Edwards, M.P. / Feng, J.L. / Ferre, R.A. / Gajiwala, K.S. / Hemkens, M.D. / Jackson-Fisher, A. / Jalaie, M. / Johnson, T.O. / Kania, R.S. / Kephart, S. / Lafontaine, J. / Lunney, B. / Liu, K.K. / Liu, Z. / Matthews, J. / Nagata, A. / Niessen, S. / Ornelas, M.A. / Orr, S.T. / Pairish, M. / Planken, S. / Ren, S. / Richter, D. / Ryan, K. / Sach, N. / Shen, H. / Smeal, T. / Solowiej, J. / Sutton, S. / Tran, K. / Tseng, E. / Vernier, W. / Walls, M. / Wang, S. / Weinrich, S.L. / Xin, S. / Xu, H. / Yin, M.J. / Zientek, M. / Zhou, R. / Kath, J.C. |
External links | J. Med. Chem. / PubMed:26756222 |
Methods | X-ray diffraction |
Resolution | 1.42 - 2.15 Å |
Structure data | PDB-5hg5: PDB-5hg7: PDB-5hg8: PDB-5hg9: |
Chemicals | ChemComp-633: ChemComp-SO4: ChemComp-GOL: ChemComp-HOH: ChemComp-630: ChemComp-634: ChemComp-63A: |
Source |
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Keywords | TRANSFERASE/TRANSFERASE INHIBITOR / EGFR / Inhibitor / Complex / Lung Cancer / TRANSFERASE-TRANSFERASE INHIBITOR complex / Kinase |