Ligand name: 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,9-dihydropurin-6-one
PDB ligand accession: X6L
DrugBank: n/a
PubChem: 86583011;135566684;
ChEMBL: CHEMBL3359158
InChI Key: JPQMPGXXKRYOGX-UHFFFAOYSA-N
SMILES: c1ccc(cc1)c2ccc(cc2)C(=O)CSc3[nH]c4c(n3)C(=O)NC(=N4)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbonyl compounds

List of PDB structures and/or AlphaFold models with target protein C8MLE4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CWB	Download	Experimental	e4cwbA1	Alpha-beta plaits	LigPlot