Ligand name: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
PDB ligand accession: C8E
DrugBank: DB04233
PubChem: 5414
ChEMBL: n/a
InChI Key: FEOZZFHAVXYAMB-UHFFFAOYSA-N
SMILES: CCCCCCCCOCCOCCOCCOCCO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein Q9I6P8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3SZD	Download	Experimental	e3szdA2 e3szdB1 e3szdA2	Outer membrane meander beta-barrels Outer membrane meander beta-barrels Outer membrane meander beta-barrels	LigPlot
4FMS	Download	Experimental	e4fmsB2 e4fmsA1 e4fmsA1	Outer membrane meander beta-barrels Outer membrane meander beta-barrels Outer membrane meander beta-barrels	LigPlot