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Ligand · O4N

O4N · 5-[[[2-[[(1S)-1-(4-methoxyphenyl)butyl]carbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid

O4N, 5-[[[2-[[(1S)-1-(4-methoxyphenyl)butyl]carbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid (C31 H34 N2 O6, 530.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
O4N
Formula
C31 H34 N2 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

O4N in 2 structures; the first of them:

  • 3ZSQ · Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by… · O4N A1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 9 more
  • 3ZSQ · Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by… · O4N A1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 9 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • ACY · Acetic acid
  • GOL · Glycerol

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