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TitleThe Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 10084-10099, Year 2016
Publish dateApr 19, 2016 (structure data deposition date)
AuthorsSkerratt, S.E. / Andrews, M. / Bagal, S.K. / Bilsland, J. / Brown, D. / Bungay, P.J. / Cole, S. / Gibson, K.R. / Jones, R. / Morao, I. ...Skerratt, S.E. / Andrews, M. / Bagal, S.K. / Bilsland, J. / Brown, D. / Bungay, P.J. / Cole, S. / Gibson, K.R. / Jones, R. / Morao, I. / Nedderman, A. / Omoto, K. / Robinson, C. / Ryckmans, T. / Skinner, K. / Stupple, P. / Waldron, G.
External linksJ. Med. Chem. / PubMed:27766865
MethodsX-ray diffraction
Resolution1.52 - 2.07 Å
Structure data

PDB-5jfs:
Crystal structure of TrkA in complex with PF-00593174
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-5jfv:
Crystal structure of TrkA in complex with PF-05206283
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-5jfw:
Crystal structure of TrkA in complex with PF-05247452
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-5jfx:
Crystal structure of TrkA in complex with PF-06273340
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

Chemicals

ChemComp-6K0:
N-{4-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-N'-(2,4-difluorophenyl)urea

ChemComp-HOH:
WATER

ChemComp-6K1:
N-{5-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide

ChemComp-6K2:
2-(4-cyanophenyl)-N-{5-[7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide

ChemComp-6K4:
N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / TrkA inhibitor complex / HYDROLASE-HYDROLASE INHIBITOR complex

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