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TitleStructure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk).
Journal, issue, pagesJ. Med. Chem, Vol. 54, Page 6342-, Year 2011
Publish dateApr 20, 2009 (structure data deposition date)
AuthorsCui, J.J. / Tran-Dube, M. / Shen, H. / Nambu, M. / Kung, P.P. / Pairish, M. / Jia, L. / Meng, J. / Funk, L. / Botrous, I. ...Cui, J.J. / Tran-Dube, M. / Shen, H. / Nambu, M. / Kung, P.P. / Pairish, M. / Jia, L. / Meng, J. / Funk, L. / Botrous, I. / Mctigue, M. / Grodsky, N. / Ryan, K. / Padrique, E. / Alton, G. / Timofeevski, S. / Yamazaki, S. / Li, Q. / Zou, H. / Christensen, J. / Mroczkowski, B. / Bender, S. / Kania, R.S. / Edwards, M.P.
External linksJ. Med. Chem / PubMed:21812414
MethodsX-ray diffraction
Resolution1.9 - 2.2 Å
Structure data

PDB-2wgj:
X-ray Structure of PF-02341066 bound to the kinase domain of c-Met
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2wkm:
X-ray Structure of PHA-00665752 bound to the kinase domain of c-Met
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-2xp2:
Structure of the Human Anaplastic Lymphoma Kinase in Complex with Crizotinib (PF-02341066)
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-VGH:
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine / medication, anticancer*YM

ChemComp-HOH:
WATER

ChemComp-PFY:
(3Z)-5-[(2,6-DICHLOROBENZYL)SULFONYL]-3-[(3,5-DIMETHYL-4-{[(2S)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / C-MET / KINASE / INHIBITOR / ATP-BINDING / NUCLEOTIDE-BINDING / TYROSINE-PROTEIN KINASE / HEPATOCYTE GROWTH FACTOR RECEPTOR / CRIZOTINIB

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