Ligand name: N-OCTANE
PDB ligand accession: OCT
DrugBank: n/a
PubChem: 356
ChEMBL: CHEMBL134886
InChI Key: TVMXDCGIABBOFY-UHFFFAOYSA-N
SMILES: CCCCCCCC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Hydrocarbons
    • Class: Saturated hydrocarbons
      • Subclass: Alkanes

List of PDB structures and/or AlphaFold models with target protein Q96242

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DSJ	Download	Experimental	e3dsjA1 e3dsjB1	Cytochrome P450 Cytochrome P450	LigPlot
3DSK	Download	Experimental	e3dskA1 e3dskB1	Cytochrome P450 Cytochrome P450	LigPlot
3DSI	Download	Experimental	e3dsiA1 e3dsiB1	Cytochrome P450 Cytochrome P450	LigPlot