Ligand name: nitroethane
PDB ligand accession: NIE
DrugBank: n/a
PubChem: 6587
ChEMBL: CHEMBL15625
InChI Key: MCSAJNNLRCFZED-UHFFFAOYSA-N
SMILES: CC[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 Q8X1D8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3FCJ	Download	Experimental	e3fcjA4 e3fcjA5 e3fcjA3 e3fcjB4 e3fcjB5 e3fcjB3 e3fcjC5 e3fcjC3 e3fcjD4 e3fcjD5 e3fcjD3	Acyl-CoA dehydrogenase middle domain-like Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like Acyl-CoA dehydrogenase middle domain-like Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like Acyl-CoA dehydrogenase middle domain-like Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like	LigPlot