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Ligand · H5O

H5O · (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R, 5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl) phenyl]-1,2,3-triazol-1-yl]oxan-3-ol

H5O, (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R, 5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl) phenyl]-1,2,3-triazol-1-yl]oxan-3-ol (C26 H27 F3 N8 O6 S, 636.6 g/mol), in…

Component
H5O
Formula
C26 H27 F3 N8 O6 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

H5O in 3 structures; the first of them:

  • 7DF5 · Human Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic… · H5O A306 · binds ARG144, ILE145, ALA146, HIS158, ASN160, ARG162, GLU165, ASN166 and 7 more
  • 7DF5 · Human galectin-3 crd in complex with novel tetrahydropyran-based thiodisaccharide mimic… · H5O A306 · binds ARG144, ILE145, ALA146, HIS158, ASN160, ARG162, GLU165, ASN166 and 6 more
  • 7DF6 · Mouse galectin-3 crd in complex with novel tetrahydropyran-based thiodisaccharide mimic… · H5O A301 · binds ARG158, VAL160, HIS172, ASN174, ARG176, GLU179, ASN180, VAL186 and 6 more

Residues it binds most

ARG 4, ASN 4, GLU 4, HIS 4, SER 4, TRP 4, VAL 3, ALA 2, GLY 2, ILE 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion

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