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Ligand · 4XE

4XE · 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium

4XE, 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium (C11 H22 N3 O +1, 212.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
4XE
Formula
C11 H22 N3 O +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

4XE in 2 structures; the first of them:

  • 5C3H · Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 1 · 4XE A402 · binds GLY306, LEU307, THR308, ASP309, TRP310, LYS311, GLU314, GLN319 and 2 more
  • 5C3H · Fragment-based drug discovery targeting inhibitor of apoptosis proteins: compound 1 · 4XE A402 · binds GLY306, LEU307, THR308, ASP309, TRP310, LYS311, GLU314, GLN319 and 2 more

Residues it binds most

TRP 2, ASP 2, GLN 2, GLU 2, GLY 2, LEU 2, LYS 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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