Ligand name: 1,4-DIETHYLENE DIOXIDE
PDB ligand accession: DIO
DrugBank: DB03316
PubChem: 31275
ChEMBL: CHEMBL453716
InChI Key: RYHBNJHYFVUHQT-UHFFFAOYSA-N
SMILES: C1COCCO1
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Dioxanes
      • Subclass: 1,4-dioxanes

List of PDB structures and/or AlphaFold models with target protein Q9A8X3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5A04	Download	Experimental	e5a04A1 e5a04A2 e5a04C1 e5a04F2 e5a04A1 e5a04D2 e5a04E1 e5a04A1 e5a04A2 e5a04F2	FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like	LigPlot
5A03	Download	Experimental	e5a03D1	Rossmann-like	LigPlot