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Ligand · TKN

TKN · methyl 2-methoxy-6-[(~{E})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate

TKN, methyl 2-methoxy-6-[(~{E})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate (C30 H36 N2 O3, 472.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
TKN
Formula
C30 H36 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

TKN in 2 structures; the first of them:

  • 7BGC · human butyrylcholinesterase in complex with a tacrine-methylanacardate hybrid inhibitor · TKN A601 · binds ASP70, GLY78, TRP82, GLY115, GLY116, GLY117, GLN119, THR120 and 18 more
  • 7BGC · Human butyrylcholinesterase in complex with a tacrine-methylanacardate hybrid inhibitor · TKN A601 · binds ASP70, GLY78, TRP82, GLY115, GLY116, GLY117, GLN119, THR120 and 18 more

Residues it binds most

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

Found with

  • FUC · alpha-L-fucopyranose
  • GAL · beta-D-galactopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SIA · N-acetyl-alpha-neuraminic acid
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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