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Ligand · B3V

B3V · N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide

B3V, N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide (C13 H22 N2 O3 S, 286.4 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…

Component
B3V
Formula
C13 H22 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

B3V in 2 structures; the first of them:

  • 4B83 · Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino… · B3V A1543 · binds TRP86, GLY120, GLY121, GLY122, TYR124, TYR133, GLU202, TRP286 and 6 more
  • 4B83 · Mus musculus acetylcholinesterase in complex with N-(2-diethylamino… · B3V A1543 · binds TRP86, GLY120, GLY121, GLY122, TYR124, TYR133, GLU202, TRP286 and 6 more

Residues it binds most

PHE 8, TYR 4, GLY 4, ASP 4, TRP 4, ARG 4, GLN 4, GLU 4, HIS 4, ILE 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • PE8 · 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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