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Ligand · WNY

WNY · 1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one

WNY, 1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one (C12 H15 Cl N2 O, 238.7 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 binds most…

Component
WNY
Formula
C12 H15 Cl N2 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

WNY in 3 structures; the first of them:

  • 5S4P · Tubulin-Z275165822-complex · WNY A505 · binds HIS88, GLU90, GLN91, ARG121, LYS124, LEU125
  • 5RY0 · INPP5D pandda analysis group deposition -- crystal structure of the phosphatase and C2… · WNY A901 · binds LYS477, THR478, VAL479, GLU498, ILE501, ILE504
  • 5S4P · Tubulin-Z275165822-complex · WNY A505 · binds HIS88, GLU90, GLN91, ARG121, LYS124, LEU125

Residues it binds most

VAL 9, LEU 10, ILE 7, LYS 9, ALA 4, GLU 7, THR 5, PRO 6, TYR 6, ARG 4 (residue and the binding sites it lines).

Found with

  • ACP · Phosphomethylphosphonic acid adenylate ester
  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • CA · Calcium ion
  • MG · Magnesium ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • DMS · Dimethyl sulfoxide

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