Ligand name: 6-METHYLAMINO-5-NITROISOCYTOSINE
PDB ligand accession: 680
DrugBank: DB03705
PubChem: 448810;5287542;135509070;
ChEMBL: CHEMBL56190
InChI Key: NMCMUSAXKISTKW-UHFFFAOYSA-N
SMILES: CNC1=C(C(=O)NC(=N1)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 Q81VW8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1TX2	Download	Experimental	e1tx2A1 e1tx2B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot