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TitleSynthesis and activity of new aryl- and heteroaryl-substituted 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole inhibitors of the transforming growth factor-beta type I receptor kinase domain.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 14, Page 3581-3584, Year 2004
Publish dateJul 8, 2003 (structure data deposition date)
AuthorsSawyer, J.S. / Beight, D.W. / Britt, K.S. / Anderson, B.D. / Campbell, R.M. / Goodson, T. / Herron, D.K. / Li, H.Y. / McMillen, W.T. / Mort, N. ...Sawyer, J.S. / Beight, D.W. / Britt, K.S. / Anderson, B.D. / Campbell, R.M. / Goodson, T. / Herron, D.K. / Li, H.Y. / McMillen, W.T. / Mort, N. / Parsons, S. / Smith, E.C. / Wagner, J.R. / Yan, L. / Zhang, F. / Yingling, J.M.
External linksBioorg. Med. Chem. Lett. / PubMed:15177479
MethodsX-ray diffraction
Resolution2.3 - 2.4 Å
Structure data

PDB-1py5:
Crystal Structure of TGF-beta receptor I kinase with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-1rw8:
Crystal Structure of TGF-beta receptor I kinase with ATP site inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-PY1:
4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE

ChemComp-HOH:
WATER

ChemComp-580:
3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TGF-beta / receptor I / kinase / TGF-beta receptor I / Protein Kinase

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