Ligand name: DI(HYDROXYETHYL)ETHER
PDB ligand accession: PEG
DrugBank: n/a
PubChem: 8117
ChEMBL: CHEMBL1235226
InChI Key: MTHSVFCYNBDYFN-UHFFFAOYSA-N
SMILES: C(COCCO)O
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 A9SS48

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5MZ8	Download	Experimental	e5mz8A1 e5mz8A2 e5mz8B2 e5mz8B1 e5mz8B2 e5mz8C2 e5mz8C1 e5mz8C2 e5mz8B2 e5mz8D1 e5mz8D2	ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot
5MZ5	Download	Experimental	e5mz5A1 e5mz5D2 e5mz5B1 e5mz5C1	ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot