Ligand name: 6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
PDB ligand accession: 3CJ
DrugBank: DB00550
PubChem: 4950;657298;5281043;
ChEMBL: CHEMBL1518
InChI Key: KNAHARQHSZJURB-UHFFFAOYSA-N
SMILES: CCCC1=CC(=O)NC(=S)N1
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

List of PDB structures and/or AlphaFold models with target protein A3F9D6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HPW	Download	Experimental	e5hpwA1 e5hpwB1 e5hpwC1 e5hpwD1	Heme-dependent peroxidases Heme-dependent peroxidases Heme-dependent peroxidases Heme-dependent peroxidases	LigPlot