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Ligand · L0Y

L0Y · 6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

L0Y, 6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (C26 H32 N2 O5, 452.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
L0Y
Formula
C26 H32 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

L0Y in 2 structures; the first of them:

  • 4CJS · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · L0Y A1217 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 8 more
  • 4CJS · Interrogating HIV integrase for compounds that bind- a sampl challenge · L0Y A1217 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 8 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

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion

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