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 Q72EJ1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8CM5	Download	Experimental	e8cm5A2 e8cm5A3 e8cm5C3	Rossmann-like Rossmann-like cradle loop barrel	LigPlot
8BQG	Download	Experimental	e8bqgA4	cradle loop barrel	LigPlot
8BQJ	Download	Experimental	e8bqjA1 e8bqjB1	cradle loop barrel 4Fe-4S ferredoxin	LigPlot
8CM7	Download	Experimental	e8cm7A2	cradle loop barrel	LigPlot
8CM6	Download	Experimental	e8cm6A2 e8cm6A3 e8cm6C1 e8cm6C4	Rossmann-like cradle loop barrel Rossmann-like Rossmann-like	LigPlot
6SDV	Download	Experimental	e6sdvA3	Rossmann-like	LigPlot
8BQH	Download	Experimental	e8bqhA1	Rossmann-like	LigPlot
8BQI	Download	Experimental	e8bqiA3 e8bqiB1	cradle loop barrel 4Fe-4S ferredoxin	LigPlot
7Z5O	Download	Experimental	e7z5oAAA1	Rossmann-like	LigPlot
8BQK	Download	Experimental	e8bqkA3 e8bqkA4	Rossmann-like Rossmann-like	LigPlot