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Ligand · OM3

OM3 · (R)-(4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl]-methyl-azanium

OM3, (R)-(4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl]-methyl-azanium (C25 H31 N2 O5 +1, 439.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
OM3
Formula
C25 H31 N2 O5 +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

OM3 in 4 structures; the first of them:

  • 3ZSY · Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by… · OM3 A1214 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 7 more
  • 4CFB · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · OM3 A1217 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 7 more
  • 3ZSY · Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by… · OM3 A1214 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 7 more
  • 4CFB · Interrogating HIV integrase for compounds that bind- a sampl challenge · OM3 A1217 · 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, LYS 8, MET 8, TRP 8, TYR 8 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion

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