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Ligand · E20

E20 · 1-benzyl-4-[(5,6-dimethoxy-1-indanon-2-yl) methyl]piperidine

E20, 1-benzyl-4-[(5,6-dimethoxy-1-indanon-2-yl) methyl]piperidine (C24 H29 N O3, 379.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
E20
Formula
C24 H29 N O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

E20 in 3 structures; the first of them:

  • 6O4W · Binary complex of native hAChE with Donepezil · E20 A604 · binds TYR72, TRP86, GLY121, TYR124, GLU202, TRP286, SER293, VAL294 and 6 more
  • 6O4W · Binary complex of native hache with donepezil · E20 A604 · binds TYR72, TRP86, GLY121, TYR124, GLU202, TRP286, SER293, VAL294 and 6 more
  • 7E3H · Crystal structure of human acetylcholinesterase in complex with donepezil · E20 A601 · binds TYR72, ASP74, TRP86, GLY121, TYR124, GLU202, TRP286, SER293 and 6 more

Residues it binds most

TYR 6, PHE 6, TRP 6, GLY 6, GLU 6, HIS 6, SER 6, VAL 6, ASP 1 (residue and the binding sites it lines).

Found with

  • NO3 · Nitrate ion
  • GOL · Glycerol
  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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