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 Q5T5N2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2G49	Download	Experimental	e2g49A12 e2g49A4 e2g49B12 e2g49B4	LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain	LigPlot
2G54	Download	Experimental	e2g54A12 e2g54A4 e2g54B12 e2g54B4	LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain	LigPlot
2JBU	Download	Experimental	e2jbuA12 e2jbuA4 e2jbuB12 e2jbuB4	LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain	LigPlot
2G56	Download	Experimental	e2g56A12 e2g56A4	LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain	LigPlot
2G48	Download	Experimental	e2g48A12 e2g48A4 e2g48B12 e2g48B4	LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain	LigPlot