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TitleStructure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 7302-7308, Year 2019
Publish dateApr 4, 2019 (structure data deposition date)
AuthorsShen, J. / Zhang, T. / Zhu, S.J. / Sun, M. / Tong, L. / Lai, M. / Zhang, R. / Xu, W. / Wu, R. / Ding, J. ...Shen, J. / Zhang, T. / Zhu, S.J. / Sun, M. / Tong, L. / Lai, M. / Zhang, R. / Xu, W. / Wu, R. / Ding, J. / Yun, C.H. / Xie, H. / Lu, X. / Ding, K.
External linksJ. Med. Chem. / PubMed:31298540
MethodsX-ray diffraction
Resolution2.796 - 2.943 Å
Structure data

PDB-6jrj:
The structure of co-crystals of 8r-B-EGFR T790M/C797S complex
Method: X-RAY DIFFRACTION / Resolution: 2.943 Å

PDB-6jrk:
The structure of co-crystals of 8r-B-EGFR WT complex
Method: X-RAY DIFFRACTION / Resolution: 2.796 Å

Chemicals

ChemComp-C6O:
6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / EGFR T790M/C797S / Inhibitor / Complex / EGFR WT

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