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TitleThe Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 9676-9690, Year 2017
Publish dateAug 1, 2017 (structure data deposition date)
AuthorsSiu, T. / Brubaker, J. / Fuller, P. / Torres, L. / Zeng, H. / Close, J. / Mampreian, D.M. / Shi, F. / Liu, D. / Fradera, X. ...Siu, T. / Brubaker, J. / Fuller, P. / Torres, L. / Zeng, H. / Close, J. / Mampreian, D.M. / Shi, F. / Liu, D. / Fradera, X. / Johnson, K. / Bays, N. / Kadic, E. / He, F. / Goldenblatt, P. / Shaffer, L. / Patel, S.B. / Lesburg, C.A. / Alpert, C. / Dorosh, L. / Deshmukh, S.V. / Yu, H. / Klappenbach, J. / Elwood, F. / Dinsmore, C.J. / Fernandez, R. / Moy, L. / Young, J.R.
External linksJ. Med. Chem. / PubMed:29156136
MethodsX-ray diffraction
Resolution1.84 Å
Structure data

PDB-5wo4:
JAK1 complexed with compound 28
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

Chemicals

ChemComp-B7V:
3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Protein tyrosine kinase

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