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 Q9ZUB3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6O63	Download	Experimental	e6o63A1 e6o63A2 e6o63B1 e6o63B2 e6o63C1 e6o63C2 e6o63D1 e6o63D2	Spermidine synthase tetramerisation domain Rossmann-like Rossmann-like Spermidine synthase tetramerisation domain Spermidine synthase tetramerisation domain Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like	LigPlot
6O65	Download	Experimental	e6o65E1 e6o65E2 e6o65G1	Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like	LigPlot