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Ligand · N44

N44 · 5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate

N44, 5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate (C27 H25 N2 O5 -1, 457.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
N44
Formula
C27 H25 N2 O5 -1
Class
ligand
Structures
2
PDB entries
1

Binding sites

N44 in 2 structures; the first of them:

  • 3ZSX · Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by… · N44 A1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 7 more
  • 3ZSX · Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by… · N44 A1215 · 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, 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
  • GOL · Glycerol

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