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TitleDiscovery and Optimization of Novel SUCNR1 Inhibitors: Design of Zwitterionic Derivatives with a Salt Bridge for the Improvement of Oral Exposure.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 9856-9875, Year 2020
Publish dateMay 11, 2020 (structure data deposition date)
AuthorsVelcicky, J. / Wilcken, R. / Cotesta, S. / Janser, P. / Schlapbach, A. / Wagner, T. / Piechon, P. / Villard, F. / Bouhelal, R. / Piller, F. ...Velcicky, J. / Wilcken, R. / Cotesta, S. / Janser, P. / Schlapbach, A. / Wagner, T. / Piechon, P. / Villard, F. / Bouhelal, R. / Piller, F. / Harlfinger, S. / Stringer, R. / Fehlmann, D. / Kaupmann, K. / Littlewood-Evans, A. / Haffke, M. / Gommermann, N.
External linksJ. Med. Chem. / PubMed:32856916
MethodsX-ray diffraction
Resolution2.269 Å
Structure data

PDB-6z10:
Crystal structure of a humanized (K18E, K269N) rat succinate receptor SUCNR1 (GPR91) in complex with a nanobody and antagonist
Method: X-RAY DIFFRACTION / Resolution: 2.269 Å

Chemicals

ChemComp-Q4T:
2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid

ChemComp-OLC:
(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • rattus norvegicus (Norway rat)
  • vicugna pacos (alpaca)
KeywordsMEMBRANE PROTEIN / G protein-coupled receptor GPCR Succinate receptor

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