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Structure paper

TitleStructure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 1858-1867, Year 2012
Publish dateOct 12, 2011 (structure data deposition date)
AuthorsNorman, M.H. / Liu, L. / Lee, M. / Xi, N. / Fellows, I. / D'Angelo, N.D. / Dominguez, C. / Rex, K. / Bellon, S.F. / Kim, T.S. / Dussault, I.
External linksJ. Med. Chem. / PubMed:22320343
MethodsX-ray diffraction
Resolution2 - 2.15 Å
Structure data

PDB-3u6h:
Crystal structure of c-Met in complex with pyrazolone inhibitor 26
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3u6i:
Crystal structure of c-Met in complex with pyrazolone inhibitor 58a
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3u6j:
Crystal structure of the VEGFR2 kinase domain in complex with a pyrazolone inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-03X:
N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

ChemComp-HOH:
WATER

ChemComp-044:
N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

Source
  • homo sapiens (human)
Keywordstransferase/transferase inhibitor / kinase domain / phosphotransferase / cancer / hepatocyte growth factor / HGF / transferase-transferase inhibitor complex / KDR / Flk-1 / angiogenesis / vascular endothelial growth factor

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