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TitleDiscovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 8091-, Year 2012
Publish dateAug 16, 2011 (structure data deposition date)
AuthorsCui, J.J. / Mctigue, M. / Nambu, M. / Tran-Dube, M. / Pairish, M. / Shen, H. / Jia, L. / Cheng, H. / Hoffman, J. / Le, P. ...Cui, J.J. / Mctigue, M. / Nambu, M. / Tran-Dube, M. / Pairish, M. / Shen, H. / Jia, L. / Cheng, H. / Hoffman, J. / Le, P. / Jalaie, M. / Goetz, G.H. / Ryan, K. / Grodsky, N. / Deng, Y. / Parker, M. / Timofeevski, S. / Murray, B.W. / Yamazaki, S. / Aguirre, S. / Li, Q. / Zou, H. / Christensen, J.
External linksJ. Med. Chem. / PubMed:22924734
MethodsX-ray diffraction
Resolution1.8 - 1.9 Å
Structure data

PDB-3zxz:
X-ray Structure of PF-04217903 bound to the kinase domain of c-Met
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3zze:
Crystal structure of C-MET kinase domain in complex with N'-((3Z)-4- chloro-7-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-(4- hydroxyphenyl)propanohydrazide
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

PDB-4aoi:
Crystal structure of C-MET kinase domain in complex with 4-(3-((1H- pyrrolo(2,3-b)pyridin-3-yl)methyl)-(1,2,4)triazolo(4,3-b)(1,2,4) triazin-6-yl)benzonitrile
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4ap7:
Crystal structure of C-MET kinase domain in complex with 4-((6-(4- fluorophenyl)-(1,2,4)triazolo(4,3-b)(1,2,4)triazin-3-yl)methyl)phenol
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-KRW:
2-{4-[1-(QUINOLIN-6-YLMETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRAZIN-6-YL]-1H-PYRAZOL-1-YL}ETHANOL

ChemComp-HOH:
WATER

ChemComp-6XP:
(2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide

ChemComp-4K0:
4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile

ChemComp-F47:
4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / INHIBITOR / KINASE INHIBITOR

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