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TitleDiscovery of a JAK1/3 Inhibitor and Use of a Prodrug To Demonstrate Efficacy in a Model of Rheumatoid Arthritis.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 10, Page 306-311, Year 2019
Publish dateFeb 11, 2019 (structure data deposition date)
AuthorsSpergel, S.H. / Mertzman, M.E. / Kempson, J. / Guo, J. / Stachura, S. / Haque, L. / Lippy, J.S. / Zhang, R.F. / Galella, M. / Pitt, S. ...Spergel, S.H. / Mertzman, M.E. / Kempson, J. / Guo, J. / Stachura, S. / Haque, L. / Lippy, J.S. / Zhang, R.F. / Galella, M. / Pitt, S. / Shen, G. / Fura, A. / Gillooly, K. / McIntyre, K.W. / Tang, V. / Tokarski, J. / Sack, J.S. / Khan, J. / Carter, P.H. / Barrish, J.C. / Nadler, S.G. / Salter-Cid, L.M. / Schieven, G.L. / Wrobleski, S.T. / Pitts, W.J.
External linksAcs Med. Chem. Lett. / PubMed:30891131
MethodsX-ray diffraction
Resolution2.33 Å
Structure data

PDB-6ny4:
Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.33 Å

Chemicals

ChemComp-Z3A:
4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex

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