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Ligand · E4F

E4F · 5-[[(1R,2S)-2-(5-azanylpentanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid

E4F, 5-[[(1R,2S)-2-(5-azanylpentanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid (C23 H26 N2 O5, 410.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
E4F
Formula
C23 H26 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

E4F in 2 structures; the first of them:

  • 4CJ3 · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · E4F A1214 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 8 more
  • 4CJ3 · Interrogating HIV integrase for compounds that bind- a sampl challenge · E4F A1214 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 8 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion

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