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TitleA structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFR(L858R/T790M) mutant with improved pharmacokinetic properties.
Journal, issue, pagesEur J Med Chem, Vol. 126, Page 1107-1117, Year 2017
Publish dateJul 14, 2016 (structure data deposition date)
AuthorsYu, L. / Huang, M. / Xu, T. / Tong, L. / Yan, X.E. / Zhang, Z. / Xu, Y. / Yun, C. / Xie, H. / Ding, K. / Lu, X.
External linksEur J Med Chem / PubMed:28033579
MethodsX-ray diffraction
Resolution2.797 Å
Structure data

PDB-5gmp:
Crystal structure of EGFR 696-1022 T790M in complex with XTF-262
Method: X-RAY DIFFRACTION / Resolution: 2.797 Å

Chemicals

ChemComp-F62:
N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / EGFR / T790M / XTF-262 / inhibitor

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