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TitleImprovement of Physiochemical Properties of the Tetrahydroazepinoindole Series of Farnesoid X Receptor (FXR) Agonists: Beneficial Modulation of Lipids in Primates.
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 1774-1787, Year 2010
Publish dateDec 11, 2009 (structure data deposition date)
AuthorsLundquist, J.T. / Harnish, D.C. / Kim, C.Y. / Mehlmann, J.F. / Unwalla, R.J. / Phipps, K.M. / Crawley, M.L. / Commons, T. / Green, D.M. / Xu, W. ...Lundquist, J.T. / Harnish, D.C. / Kim, C.Y. / Mehlmann, J.F. / Unwalla, R.J. / Phipps, K.M. / Crawley, M.L. / Commons, T. / Green, D.M. / Xu, W. / Hum, W.T. / Eta, J.E. / Feingold, I. / Patel, V. / Evans, M.J. / Lai, K. / Borges-Marcucci, L. / Mahaney, P.E. / Wrobel, J.E.
External linksJ. Med. Chem. / PubMed:20095622
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-3l1b:
Complex Structure of FXR Ligand-binding domain with a tetrahydroazepinoindole compound
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-635:
1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Nuclear receptor / FXR agonist / FXR ligand-binding domain / Nucleus / Receptor / Transcription regulation

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