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Ligand · VXO

VXO · 5-[(2S)-2-[[2-(1H-indol-3-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid

VXO, 5-[(2S)-2-[[2-(1H-indol-3-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid (C25 H28 N2 O5, 436.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
VXO
Formula
C25 H28 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

VXO in 2 structures; the first of them:

  • 4CJQ · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · VXO A1214 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 8 more
  • 4CJQ · Interrogating HIV integrase for compounds that bind- a sampl challenge · VXO A1214 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 8 more

Residues it binds most

ALA 4, GLN 4, THR 4, ASP 4, GLU 4, HIS 4, LEU 4, LYS 4, MET 4, TRP 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion

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