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Structure paper

TitleDiscovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 8440-8450, Year 2011
Publish dateAug 24, 2011 (structure data deposition date)
AuthorsSchenkel, L.B. / Huang, X. / Cheng, A. / Deak, H.L. / Doherty, E. / Emkey, R. / Gu, Y. / Gunaydin, H. / Kim, J.L. / Lee, J. ...Schenkel, L.B. / Huang, X. / Cheng, A. / Deak, H.L. / Doherty, E. / Emkey, R. / Gu, Y. / Gunaydin, H. / Kim, J.L. / Lee, J. / Loberg, R. / Olivieri, P. / Pistillo, J. / Tang, J. / Wan, Q. / Wang, H.L. / Wang, S.W. / Wells, M.C. / Wu, B. / Yu, V. / Liu, L. / Geuns-Meyer, S.
External linksJ. Med. Chem. / PubMed:22087750
MethodsX-ray diffraction
Resolution2.4 - 2.9 Å
Structure data

PDB-3tjc:
Co-crystal structure of jak2 with thienopyridine 8
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-3tjd:
co-crystal structure of Jak2 with thienopyridine 19
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

Chemicals

ChemComp-0TP:
4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide

ChemComp-HOH:
WATER

ChemComp-6TP:
4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / jak2 / kinase / inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex

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