Ligand name: 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one
PDB ligand accession: B55
DrugBank: n/a
PubChem: 80613;2725005;135423614;
ChEMBL: CHEMBL178006
InChI Key: JHEKNTQSGTVPAO-UHFFFAOYSA-N
SMILES: c12c([nH]c(n1)S)N=C(NC2=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Imidazopyrimidines
      • Subclass: Purines and purine derivatives

List of PDB structures and/or AlphaFold models with target protein B1UXN2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3H24	Download	Experimental	e3h24A1 e3h24B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot