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Ligand · B3W

B3W · 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide

B3W, 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide (C12 H19 Cl N2 O2 S, 290.8 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…

Component
B3W
Formula
C12 H19 Cl N2 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

B3W in 2 structures; the first of them:

  • 4B85 · Mus musculus Acetylcholinesterase in complex with 4-Chloranyl-N-(2… · B3W A600 · binds TRP86, GLY120, GLY121, GLY122, TYR124, TYR133, GLU202, SER203 and 7 more
  • 4B85 · Mus musculus acetylcholinesterase in complex with 4-chloranyl-N-(2… · B3W A600 · binds TRP86, GLY120, GLY121, GLY122, TYR124, TYR133, GLU202, SER203 and 7 more

Residues it binds most

TYR 4, GLY 4, PHE 4, GLU 4, HIS 4, TRP 4, ILE 2, SER 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • P6G · Hexaethylene glycol
  • PEG · Di(hydroxyethyl)ether

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