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Ligand · CWQ

CWQ · 2-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium

CWQ, 2-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium (C29 H37 N4 O2 +1, 473.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
CWQ
Formula
C29 H37 N4 O2 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

CWQ in 2 structures; the first of them:

  • 6F7Q · Human Butyrylcholinesterase complexed with N-Propargyliperidines · CWQ A601 · binds HIS372, TYR373, ASP375, VAL377, GLN517, GLN518, ILE462, LEU463 and 7 more
  • 6F7Q · Human butyrylcholinesterase complexed with N-propargyliperidines · CWQ A601 · binds HIS372, TYR373, ASP375, VAL377, GLN517, GLN518, ILE462, LEU463 and 7 more

Residues it binds most

ASN 6, SER 8, ASP 8, GLN 4, GLU 8, GLY 4, HIS 8, ILE 8, LEU 8, THR 8 (residue and the binding sites it lines).

Found with

  • FUC · alpha-L-fucopyranose
  • FUL · beta-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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