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TitlePyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 1677-1692, Year 2013
Publish dateNov 19, 2012 (structure data deposition date)
AuthorsPadilla, F. / Bhagirath, N. / Chen, S. / Chiao, E. / Goldstein, D.M. / Hermann, J.C. / Hsu, J. / Kennedy-Smith, J.J. / Kuglstatter, A. / Liao, C. ...Padilla, F. / Bhagirath, N. / Chen, S. / Chiao, E. / Goldstein, D.M. / Hermann, J.C. / Hsu, J. / Kennedy-Smith, J.J. / Kuglstatter, A. / Liao, C. / Liu, W. / Lowrie, L.E. / Luk, K.C. / Lynch, S.M. / Menke, J. / Niu, L. / Owens, T.D. / O-Yang, C. / Railkar, A. / Schoenfeld, R.C. / Slade, M. / Steiner, S. / Tan, Y.C. / Villasenor, A.G. / Wang, C. / Wanner, J. / Xie, W. / Xu, D. / Zhang, X. / Zhou, M. / Lucas, M.C.
External linksJ. Med. Chem. / PubMed:23350847
MethodsX-ray diffraction
Resolution1.7 - 2.1 Å
Structure data

PDB-4i0r:
Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5-Trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-4i0s:
Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-4i0t:
Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-1B4:
N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

ChemComp-HOH:
WATER

ChemComp-1B5:
2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

ChemComp-1B6:
N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

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

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