Ligand name: 3-NITROPROPANOIC ACID
PDB ligand accession: 3NP
DrugBank: n/a
PubChem: 1678
ChEMBL: CHEMBL451226
InChI Key: WBLZUCOIBUDNBV-UHFFFAOYSA-N
SMILES: C(C[N+](=O)[O-])C(=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 H8EVV4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6C4C	Download	Experimental	e6c4cE1 e6c4cF1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
6C4A	Download	Experimental	e6c4aA1 e6c4aB1 e6c4aC1 e6c4aD1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot