Ligand name: 4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydropyrimidin-4-yl)amino]propoxy}benzoic acid
PDB ligand accession: B54
DrugBank: n/a
PubChem: 44373851;135566468;
ChEMBL: CHEMBL161604
InChI Key: DEMFGJNJURCTNT-UHFFFAOYSA-N
SMILES: c1cc(ccc1C(=O)O)OCCCNC2=C(C(=O)NC(=N2)N)N=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and 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
3H23	Download	Experimental	e3h23A1 e3h23B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot