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 P13448

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2AHJ	Download	Experimental	e2ahjB2 e2ahjA1 e2ahjD2 e2ahjC1	Nitrile hydratase subunit beta N-termial domain Nitrile hydratase alpha chain Nitrile hydratase subunit beta N-termial domain Nitrile hydratase alpha chain	LigPlot