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TitleDiscovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 13561-13577, Year 2020
Publish dateJun 1, 2020 (structure data deposition date)
AuthorsGerstenberger, B.S. / Ambler, C. / Arnold, E.P. / Banker, M.E. / Brown, M.F. / Clark, J.D. / Dermenci, A. / Dowty, M.E. / Fensome, A. / Fish, S. ...Gerstenberger, B.S. / Ambler, C. / Arnold, E.P. / Banker, M.E. / Brown, M.F. / Clark, J.D. / Dermenci, A. / Dowty, M.E. / Fensome, A. / Fish, S. / Hayward, M.M. / Hegen, M. / Hollingshead, B.D. / Knafels, J.D. / Lin, D.W. / Lin, T.H. / Owen, D.R. / Saiah, E. / Sharma, R. / Vajdos, F.F. / Xing, L. / Yang, X. / Wright, S.W.
External linksJ. Med. Chem. / PubMed:32787094
MethodsX-ray diffraction
Resolution1.75 - 2.21 Å
Structure data

PDB-6x8e:
Crystal structure of JAK2 with Compound 11
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-6x8f:
Crystal structure of TYK2 with Compound 11
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-6x8g:
Crystal structure of TYK2 with Compound 22
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

Chemicals

ChemComp-UWP:
[3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile

ChemComp-HOH:
WATER

ChemComp-UWM:
trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / kinase

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