Ligand name: 2,6-diamino-5-nitropyrimidin-4(3H)-one
PDB ligand accession: B57
DrugBank: n/a
PubChem: 239615;135461662;
ChEMBL: CHEMBL571066
InChI Key: XNFGVBWYGFPSDN-UHFFFAOYSA-N
SMILES: C1(=C(N=C(NC1=O)N)N)[N+](=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic 1,3-dipolar compounds
    • Class: Allyl-type 1,3-dipolar organic compounds
      • Subclass: Organic nitro compounds

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
3H2A	Download	Experimental	e3h2aA1 e3h2aB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot