GL1X · GenesisL1 explorer

Ligand · JDS

JDS · 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl) amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol

JDS, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl) amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol (C23 H25 Cl N4 O2, 424.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
JDS
Formula
C23 H25 Cl N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JDS in 2 structures; the first of them:

  • 6G4P · Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA… · JDS A604 · binds TYR70, ASP72, GLN74, TYR121, TRP279, LEU282, SER286, ARG289 and 3 more
  • 6G4P · Non-aged form of torpedo californica acetylcholinesterase inhibited by tabun analog nedpa… · JDS A604 · binds TYR70, GLN74, TRP279, LEU282, SER286, PHE331, TYR334, GLY335

Residues it binds most

TYR 4, SER 4, TRP 4, GLY 3, LEU 3, PHE 3, ASP 2, GLN 2, ARG 1 (residue and the binding sites it lines).

Found with

  • ELT · ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • PG4 · Tetraethylene glycol

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