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 A3DIH0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5O80	Download	Experimental	e5o80A1 e5o80B2 e5o80C2 e5o80D2 e5o80E2 e5o80F2	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
5O7Z	Download	Experimental	e5o7zC2 e5o7zD1 e5o7zE1 e5o7zF2	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot