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Ligand · 4VW

4VW · 5-[(2S)-2-[[(4-aminophenyl)carbonylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid

4VW, 5-[(2S)-2-[[(4-aminophenyl)carbonylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid (C22 H26 N2 O5, 398.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
4VW
Formula
C22 H26 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

4VW in 2 structures; the first of them:

  • 4CJ5 · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · 4VW A1216 · binds ASP167, GLN168, ALA169, GLU170, HIS171, THR174, MET178, GLN95 and 7 more
  • 4CJ5 · Interrogating HIV integrase for compounds that bind- a sampl challenge · 4VW A1216 · binds ASP167, GLN168, ALA169, GLU170, HIS171, THR174, MET178, GLN95 and 7 more

Residues it binds most

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

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion

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