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Ligand · WDM

WDM · 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one

WDM, 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one (C13 H17 N5 O3 S2, 355.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
WDM
Formula
C13 H17 N5 O3 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

WDM in 2 structures; the first of them:

  • 7KG8 · Structure of human PARG complexed with PARG-061 · WDM A1001 · binds THR725, ILE726, GLU727, PHE738, VAL753, GLN754, TYR792, TYR795 and 9 more
  • 7KG8 · Structure of human parg complexed with parg-061 · WDM A1001 · binds THR725, ILE726, GLU727, PHE738, VAL753, GLN754, TYR792, TYR795 and 6 more

Residues it binds most

PHE 2, TYR 2, GLY 2, THR 2, ALA 2, CYS 2, GLN 2, GLU 2, ILE 2, VAL 2 (residue and the binding sites it lines).

Found with

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

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