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Structure paper

TitleMultisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 6368-6372, Year 2012
Publish dateAug 5, 2012 (structure data deposition date)
AuthorsWu, K. / Ai, J. / Liu, Q. / Chen, T. / Zhao, A. / Peng, X. / Wang, Y. / Ji, Y. / Yao, Q. / Xu, Y. ...Wu, K. / Ai, J. / Liu, Q. / Chen, T. / Zhao, A. / Peng, X. / Wang, Y. / Ji, Y. / Yao, Q. / Xu, Y. / Geng, M. / Zhang, A.
External linksBioorg. Med. Chem. Lett. / PubMed:22985853
MethodsX-ray diffraction
Resolution2.27 - 2.423 Å
Structure data

PDB-4gg5:
Crystal structure of CMET in complex with novel inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.423 Å

PDB-4gg7:
Crystal structure of cMET in complex with novel inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

Chemicals

ChemComp-0J3:
3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine

ChemComp-HOH:
WATER

ChemComp-0J8:
N-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / CMET inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex / c-MET inhibitor

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