Ligand name: 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one
PDB ligand accession: 5RU
DrugBank: n/a
PubChem: 861230;135567097;
ChEMBL: CHEMBL3359162
InChI Key: DBXBVKPIQPXRBY-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)F
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 P0AC14

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5U12	Download	Experimental	e5u12A1 e5u12B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot