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Ligand · BY2

BY2 · [3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate

BY2, [3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate (C14 H22 N2 O3, 266.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues…

Component
BY2
Formula
C14 H22 N2 O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

BY2 in 2 structures; the first of them:

  • 6EUL · Butyrylcolinesterase expressed in cho cells co-crystallised with a rivastigmine analogue · BY2 A604 · binds ASN68, ILE69, ASP70, TRP82, THR120, PRO285, PHE329, TYR332
  • 6EYF · Butyrylcolinesterase expressed in cho cells co-crystallised with a rivastigmine analogue · BY2 A605 · binds ASN68, ILE69, ASP70, TRP82, GLN119, THR120, PRO285, PHE329 and 2 more

Residues it binds most

TRP 2, ASN 2, ASP 2, ILE 2, PHE 2, PRO 2, THR 2, TYR 2, GLN 1 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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