Ligand name: 1-nitrohexane
PDB ligand accession: N6C
DrugBank: n/a
PubChem: 12589
ChEMBL: CHEMBL1234594
InChI Key: FEYJIFXFOHFGCC-UHFFFAOYSA-N
SMILES: CCCCCC[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
3D9D	Download	Experimental	e3d9dA5 e3d9dA3 e3d9dB4 e3d9dB5 e3d9dB3 e3d9dC4 e3d9dC5 e3d9dC3 e3d9dD5 e3d9dD3	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 middle domain-like Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like	LigPlot
3D9F	Download	Experimental	e3d9fA5 e3d9fA3 e3d9fB5 e3d9fB3 e3d9fC5 e3d9fC3 e3d9fD5 e3d9fD3	Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like	LigPlot