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Ligand · J4E

J4E · (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol

J4E, (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol (C21 H22 F N3 O4 S, 431.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component
J4E
Formula
C21 H22 F N3 O4 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

J4E in 1 structure; the first of them:

  • 6QLQ · Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 4 · J4E B302 · binds ARG144, ILE145, ALA146, HIS158, ASN160, ARG162, VAL172, ASN174 and 4 more

Residues it binds most

ARG 1, ASN 1, ALA 1, GLU 1, GLY 1, HIS 1, ILE 1, SER 1, TRP 1, VAL 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • PEG · Di(hydroxyethyl)ether

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