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Ligand · XOD

XOD · (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol

XOD, (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol (C23 H33 N5 O7, 491.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component
XOD
Formula
C23 H33 N5 O7
Class
ligand
Structures
1
PDB entries
1

Binding sites

XOD in 1 structure; the first of them:

  • 7KB6 · Co-crystal structure of alpha glucosidase with compound 7 · XOD A1237 · binds PHE307, TRP423, ASP451, ILE452, ILE488, TRP523, TRP525, TRP562 and 10 more

Residues it binds most

TRP 2, PHE 2, ASP 2, HIS 2, ILE 2, ARG 2, MET 2, ASN 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol

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