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Ligand · WDD

WDD · 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione

WDD, 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione (C13 H20 N6 O3, 308.3 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…

Component
WDD
Formula
C13 H20 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

WDD in 2 structures; the first of them:

  • 7KG1 · Structure of human PARG complexed with PARG-002 · WDD A1004 · binds THR725, PHE738, GLN754, TYR792, TYR795, PHE902
  • 7KG1 · Structure of human parg complexed with parg-002 · WDD A1004 · binds GLN754, TYR792, TYR795, PHE902

Residues it binds most

TYR 2, PHE 2, GLN 2, THR 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CAC · Cacodylate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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