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TitleDesign and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives.
Journal, issue, pagesBioorg. Med. Chem., Vol. 20, Page 5600-5615, Year 2012
Publish dateMay 23, 2012 (structure data deposition date)
AuthorsHirose, M. / Okaniwa, M. / Miyazaki, T. / Imada, T. / Ohashi, T. / Tanaka, Y. / Arita, T. / Yabuki, M. / Kawamoto, T. / Tsutsumi, S. ...Hirose, M. / Okaniwa, M. / Miyazaki, T. / Imada, T. / Ohashi, T. / Tanaka, Y. / Arita, T. / Yabuki, M. / Kawamoto, T. / Tsutsumi, S. / Sumita, A. / Takagi, T. / Sang, B.C. / Yano, J. / Aertgeerts, K. / Yoshida, S. / Ishikawa, T.
External linksBioorg. Med. Chem. / PubMed:22883026
MethodsX-ray diffraction
Resolution2.95 Å
Structure data

PDB-4fc0:
Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.95 Å

Chemicals

ChemComp-0T2:
2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / human serine/theronine protein Kinase / kinase drug complex / TRANSFERASE-TRANSFERASE INHIBITOR complex

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