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TitleDiscovery and Optimization of the First Highly Effective and Orally Available Galectin-3 Inhibitors for Treatment of Fibrotic Disease.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 12626-12638, Year 2022
Publish dateMay 3, 2022 (structure data deposition date)
AuthorsZetterberg, F.R. / MacKinnon, A. / Brimert, T. / Gravelle, L. / Johnsson, R.E. / Kahl-Knutson, B. / Leffler, H. / Nilsson, U.J. / Pedersen, A. / Peterson, K. ...Zetterberg, F.R. / MacKinnon, A. / Brimert, T. / Gravelle, L. / Johnsson, R.E. / Kahl-Knutson, B. / Leffler, H. / Nilsson, U.J. / Pedersen, A. / Peterson, K. / Roper, J.A. / Schambye, H. / Slack, R.J. / Tantawi, S.
External linksJ. Med. Chem. / PubMed:36154172
MethodsX-ray diffraction
Resolution1.05 Å
Structure data

PDB-7zqx:
Human galectin-3c in complex with a galactose derivative
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-SCN:
THIOCYANATE ION

ChemComp-CL:
Unknown entry

ChemComp-JU0:
(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(5-bromanylpyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol

ChemComp-MOH:
METHANOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsSUGAR BINDING PROTEIN / Inhibitor / complex

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