Ligand name: 1-nitropropane
PDB ligand accession: N1P
DrugBank: n/a
PubChem: 7903
ChEMBL: CHEMBL1449933
InChI Key: JSZOAYXJRCEYSX-UHFFFAOYSA-N
SMILES: CCC[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 T2E9U5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4QIU	Download	Experimental	e4qiuA1 e4qiuB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot