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TitleDiscovery of 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (NVP-BGJ398), a potent and selective inhibitor of the fibroblast growth factor receptor family of receptor tyrosine kinase.
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 7066-7083, Year 2011
Publish dateSep 13, 2011 (structure data deposition date)
AuthorsGuagnano, V. / Furet, P. / Spanka, C. / Bordas, V. / Le Douget, M. / Stamm, C. / Brueggen, J. / Jensen, M.R. / Schnell, C. / Schmid, H. ...Guagnano, V. / Furet, P. / Spanka, C. / Bordas, V. / Le Douget, M. / Stamm, C. / Brueggen, J. / Jensen, M.R. / Schnell, C. / Schmid, H. / Wartmann, M. / Berghausen, J. / Drueckes, P. / Zimmerlin, A. / Bussiere, D. / Murray, J. / Graus Porta, D.
External linksJ. Med. Chem. / PubMed:21936542
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-3tt0:
Co-structure of Fibroblast Growth Factor Receptor 1 kinase domain with 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (BGJ398)
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-07J:
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / kinase domain / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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