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 Q9IW06

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1LVO	Download	Experimental	e1lvoA1 e1lvoB1 e1lvoB2 e1lvoA1 e1lvoB1 e1lvoC1 e1lvoD1 e1lvoD2 e1lvoE1 e1lvoF1 e1lvoF2 e1lvoF2	cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot