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TitleIdentification of azabenzimidazoles as potent JAK1 selective inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 60-67, Year 2016
Publish dateSep 29, 2015 (structure data deposition date)
AuthorsVasbinder, M.M. / Alimzhanov, M. / Augustin, M. / Bebernitz, G. / Bell, K. / Chuaqui, C. / Deegan, T. / Ferguson, A.D. / Goodwin, K. / Huszar, D. ...Vasbinder, M.M. / Alimzhanov, M. / Augustin, M. / Bebernitz, G. / Bell, K. / Chuaqui, C. / Deegan, T. / Ferguson, A.D. / Goodwin, K. / Huszar, D. / Kawatkar, A. / Kawatkar, S. / Read, J. / Shi, J. / Steinbacher, S. / Steuber, H. / Su, Q. / Toader, D. / Wang, H. / Woessner, R. / Wu, A. / Ye, M. / Zinda, M.
External linksBioorg. Med. Chem. Lett. / PubMed:26614408
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-5e1e:
Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-5JG:
6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Kinase

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