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Ligand · O5U

O5U · (2R)-6-[[(1R,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

O5U, (2R)-6-[[(1R,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (C28 H34 N2 O7, 510.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
O5U
Formula
C28 H34 N2 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

O5U in 2 structures; the first of them:

  • 4CF0 · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · O5U A1213 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 9 more
  • 4CF0 · Interrogating HIV integrase for compounds that bind- a sampl challenge · O5U A1213 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 9 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion

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