Ligand name: PENTAETHYLENE GLYCOL
PDB ligand accession: 1PE
DrugBank: n/a
PubChem: 62551
ChEMBL: CHEMBL1229766
InChI Key: JLFNLZLINWHATN-UHFFFAOYSA-N
SMILES: C(COCCOCCOCCOCCO)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein P0DTD1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8DRV	Download	Experimental	e8drvB1	cradle loop barrel	LigPlot
8DOY	Download	Experimental	e8doyA1 e8doyA2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot
7JKV	Download	Experimental	e7jkvB1	cradle loop barrel	LigPlot
8DRU	Download	Experimental	e8druB2 e8druE1 e8druE2 e8druD1 e8druE1 e8druE2 e8druG1 e8druG2	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 cradle loop barrel	LigPlot
8DRZ	Download	Experimental	e8drzA1 e8drzA2 e8drzB1 e8drzB1 e8drzB2 e8drzD1 e8drzD2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel 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 cradle loop barrel	LigPlot
8DRW	Download	Experimental	e8drwA1 e8drwA2 e8drwB1 e8drwA2 e8drwB1 e8drwB2 e8drwC1 e8drwM1 e8drwM2 e8drwC2 e8drwD2 e8drwE1 e8drwE2 e8drwF1 e8drwF2 e8drwE1 e8drwE2 e8drwF2 e8drwF2 e8drwG1 e8drwG2 e8drwH1 e8drwH1 e8drwH2 e8drwI1 e8drwI2 e8drwJ1 e8drwJ1 e8drwK1 e8drwK2 e8drwL1 e8drwK2 e8drwL1 e8drwL2 e8drwM1 e8drwM2 e8drwN1 e8drwN2 e8drwM1 e8drwN1 e8drwN2	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 Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain 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 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 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 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 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 Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain 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 cradle loop barrel	LigPlot