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Ligand · Y7N

Y7N · 5-[(E)-[(2S)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid

Y7N, 5-[(E)-[(2S)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid (C24 H26 N2 O5, 422.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
Y7N
Formula
C24 H26 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

Y7N in 2 structures; the first of them:

  • 4CIE · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · Y7N A1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 8 more
  • 4CIE · Interrogating HIV integrase for compounds that bind- a sampl challenge · Y7N A1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 8 more

Residues it binds most

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

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • ACY · Acetic acid

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