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Ligand · 3GM

3GM · (2s)-6-[[(1r,2s)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

3GM, (2s)-6-[[(1r,2s)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (C26 H30 N2 O7, 482.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
3GM
Formula
C26 H30 N2 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

3GM in 2 structures; the first of them:

  • 4CF2 · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · 3GM A1213 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 9 more
  • 4CF2 · Interrogating HIV integrase for compounds that bind- a sampl challenge · 3GM 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, HIS 4, LEU 4, LYS 4, MET 4, TRP 4, TYR 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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