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Ligand · 7NV

7NV · 5-[[[(1S)-2-(butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid

7NV, 5-[[[(1S)-2-(butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid (C23 H27 N3 O6, 441.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
7NV
Formula
C23 H27 N3 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

7NV in 2 structures; the first of them:

  • 4CFC · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · 7NV A1216 · binds ASP167, GLN168, ALA169, GLU170, HIS171, THR174, MET178, GLN95 and 5 more
  • 4CFC · Interrogating HIV integrase for compounds that bind- a sampl challenge · 7NV A1216 · binds ASP167, GLN168, ALA169, GLU170, HIS171, THR174, MET178, GLN95 and 5 more

Residues it binds most

ALA 4, GLN 4, THR 4, ASP 4, GLU 4, HIS 4, TYR 4, MET 2 (residue and the binding sites it lines).

Found with

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

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