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Ligand · OM1

OM1 · (4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]azanium

OM1, (4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]azanium (C25 H25 N2 O6 +1, 449.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
OM1
Formula
C25 H25 N2 O6 +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

OM1 in 4 structures; the first of them:

  • 3ZT1 · Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by… · OM1 A1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 7 more
  • 4CK1 · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · OM1 A1216 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 7 more
  • 3ZT1 · Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by… · OM1 A1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 7 more
  • 4CK1 · Interrogating HIV integrase for compounds that bind- a sampl challenge · OM1 A1216 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 7 more

Residues it binds most

ALA 8, GLN 8, THR 8, ASP 8, GLU 8, HIS 8, LEU 8, LYS 8, MET 8, TYR 8 (residue and the binding sites it lines).

Found with

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

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