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Ligand · VU2

VU2 · (2S)-2-[(4-chlorobenzyl)oxy]-2-phenylethanamine

VU2, (2S)-2-[(4-chlorobenzyl)oxy]-2-phenylethanamine (C15 H16 Cl N O, 261.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
VU2
Formula
C15 H16 Cl N O
Class
ligand
Structures
2
PDB entries
1

Binding sites

VU2 in 2 structures; the first of them:

  • 2XNT · Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening… · VU2 A301 · binds TYR91, TRP145, TYR186, CYS188, CYS189, TYR193, TYR53, ILE116
  • 2XNT · Acetylcholine binding protein (achbp) as template for hierarchical in silico screening… · VU2 A301 · binds TYR91, TRP145, TYR186, CYS188, CYS189, TYR193, TYR53, ILE116

Residues it binds most

TYR 20, CYS 16, ILE 20, TRP 20, SER 4 (residue and the binding sites it lines).

Found with

  • BR · Bromide ion

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