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Title | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. |
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Journal, issue, pages | J. Med. Chem., Vol. 59, Page 6671-6689, Year 2016 |
Publish date | Dec 16, 2015 (structure data deposition date) |
Authors | Lelais, G. / Epple, R. / Marsilje, T.H. / Long, Y.O. / McNeill, M. / Chen, B. / Lu, W. / Anumolu, J. / Badiger, S. / Bursulaya, B. ...Lelais, G. / Epple, R. / Marsilje, T.H. / Long, Y.O. / McNeill, M. / Chen, B. / Lu, W. / Anumolu, J. / Badiger, S. / Bursulaya, B. / DiDonato, M. / Fong, R. / Juarez, J. / Li, J. / Manuia, M. / Mason, D.E. / Gordon, P. / Groessl, T. / Johnson, K. / Jia, Y. / Kasibhatla, S. / Li, C. / Isbell, J. / Spraggon, G. / Bender, S. / Michellys, P.Y. |
External links | J. Med. Chem. / PubMed:27433829 |
Methods | X-ray diffraction |
Resolution | 2.651 - 3.4 Å |
Structure data | PDB-5fed: PDB-5fee: PDB-5feq: |
Chemicals | ChemComp-5X4: ChemComp-HOH: ChemComp-5XH: |
Source |
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Keywords | TRANSFERASE/TRANSFERASE INHIBITOR / Kinase / Inhibitor / Covalently-bound / TRANSFERASE-TRANSFERASE INHIBITOR complex / Covalently bound / T790M |