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TitleIdentification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 11084-11099, Year 2022
Publish dateApr 1, 2022 (structure data deposition date)
AuthorsLiu, C. / Jalagam, P.R. / Feng, J. / Wang, W. / Raja, T. / Sura, M.R. / Manepalli, R.K.V.L.P. / Aliphedi, B.R. / Medavarapu, S. / Nair, S.K. ...Liu, C. / Jalagam, P.R. / Feng, J. / Wang, W. / Raja, T. / Sura, M.R. / Manepalli, R.K.V.L.P. / Aliphedi, B.R. / Medavarapu, S. / Nair, S.K. / Muthalagu, V. / Natesan, R. / Gupta, A. / Beno, B. / Panda, M. / Ghosh, K. / Shukla, J.K. / Sale, H. / Haldar, P. / Kalidindi, N. / Shah, D. / Patel, D. / Mathur, A. / Ellsworth, B.A. / Cheng, D. / Regueiro-Ren, A.
External linksJ. Med. Chem. / PubMed:35969688
MethodsX-ray diffraction
Resolution0.98 Å
Structure data

PDB-7xfa:
Structure of human Galectin-3 CRD in complex with monosaccharide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

Chemicals

ChemComp-D9J:
(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsGalactoside-binding lectin / Lectin / galactose / fibrosis / SUGAR BINDING PROTEIN

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