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Ligand · PX3

PX3 · 5-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid

PX3, 5-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid (C28 H28 N2 O6, 488.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
PX3
Formula
C28 H28 N2 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

PX3 in 2 structures; the first of them:

  • 3ZCM · Small molecule inhibitors of the LEDGF site of HIV integrase identified by fragment… · PX3 A1214 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 7 more
  • 3ZCM · Small molecule inhibitors of the ledgf site of HIV integrase identified by fragment… · PX3 A1214 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 7 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • GOL · Glycerol

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