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Ligand · A36

A36 · N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide

A36, N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide (C13 H21 F N2 O2 S, 288.4 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…

Component
A36
Formula
C13 H21 F N2 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

A36 in 2 structures; the first of them:

  • 4B80 · Mus musculus Acetylcholinesterase in complex with… · A36 A1543 · binds TYR72, ASP74, TRP86, GLY120, GLY121, GLY122, TYR124, TYR133 and 9 more
  • 4B80 · Mus musculus acetylcholinesterase in complex with N-(2-diethylamino… · A36 A1543 · binds TYR72, ASP74, TRP86, GLY120, GLY121, GLY122, TYR124, TYR133 and 9 more

Residues it binds most

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

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • P4C · O-acetaldehydyl-hexaethylene glycol
  • PEG · Di(hydroxyethyl)ether
  • PGE · Triethylene glycol

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