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Ligand · VL4

VL4 · (2S)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

VL4, (2S)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (C27 H32 N2 O7, 496.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
VL4
Formula
C27 H32 N2 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

VL4 in 2 structures; the first of them:

  • 4CER · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · VL4 A1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 9 more
  • 4CER · Interrogating HIV integrase for compounds that bind- a sampl challenge · VL4 A1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 9 more

Residues it binds most

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

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion

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