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TitleDiscovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 2944-2962, Year 2017
Publish dateJul 21, 2016 (structure data deposition date)
AuthorsWang, A. / Li, X. / Wu, H. / Zou, F. / Yan, X.E. / Chen, C. / Hu, C. / Yu, K. / Wang, W. / Zhao, P. ...Wang, A. / Li, X. / Wu, H. / Zou, F. / Yan, X.E. / Chen, C. / Hu, C. / Yu, K. / Wang, W. / Zhao, P. / Wu, J. / Qi, Z. / Wang, B. / Wang, L. / Ren, T. / Zhang, S. / Yun, C.H. / Liu, J. / Liu, Q.
External linksJ. Med. Chem. / PubMed:28282122
MethodsX-ray diffraction
Resolution1.796 Å
Structure data

PDB-5gnk:
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
Method: X-RAY DIFFRACTION / Resolution: 1.796 Å

Chemicals

ChemComp-80U:
1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one

ChemComp-NO3:
NITRATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / EGFR / T790M / LXX-6-34 / inhibitor

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