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 P0C0S2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5AJI	Download	Experimental	e5ajiA1 e5ajiA2 e5ajiE1 e5ajiE2	Mechanosensitive channel protein MscS (YggB), transmembrane region SH3 Mechanosensitive channel protein MscS (YggB), transmembrane region SH3	LigPlot