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Ligand · UJ6

UJ6 · 5-{[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid

UJ6, 5-{[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid (C17 H13 N O5, 311.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
UJ6
Formula
C17 H13 N O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

UJ6 in 2 structures; the first of them:

  • 4CGF · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · UJ6 A1216 · binds GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178, GLN95 and 7 more
  • 4CGF · Interrogating HIV integrase for compounds that bind- a sampl challenge · UJ6 A1216 · binds GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178, GLN95 and 7 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol

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