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Ligand · NZL

NZL · 5-[[(1S,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid

NZL, 5-[[(1S,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid (C24 H28 N2 O5, 424.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
NZL
Formula
C24 H28 N2 O5
Class
ligand
Structures
4
PDB entries
2

Binding sites

NZL in 4 structures; the first of them:

  • 4CGI · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · NZL A1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 8 more
  • 4CGJ · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · NZL A1216 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 8 more
  • 4CGI · Interrogating HIV integrase for compounds that bind- a sampl challenge · NZL A1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 8 more
  • 4CGJ · Interrogating HIV integrase for compounds that bind- a sampl challenge · NZL A1216 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 8 more

Residues it binds most

ALA 8, GLN 8, THR 8, ASP 8, GLU 8, HIS 8, LEU 8, LYS 8, MET 8, TRP 8 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion

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