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 Q9AE79

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2VDF	Download	Experimental	e2vdfA1	Outer membrane meander beta-barrels	LigPlot