Ligand name: HEXANE
PDB ligand accession: HEX
DrugBank: n/a
PubChem: 8058
ChEMBL: CHEMBL15939
InChI Key: VLKZOEOYAKHREP-UHFFFAOYSA-N
SMILES: CCCCCC
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 e5ajiB3 e5ajiB3 e5ajiC1 e5ajiC1 e5ajiC3 e5ajiD1 e5ajiD1 e5ajiE1 e5ajiE1 e5ajiF2 e5ajiF2 e5ajiF3 e5ajiG3	Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region SH3 Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region SH3 Mechanosensitive channel protein MscS (YggB), transmembrane region	LigPlot