Ligand name: 1,2-ETHANEDIOL
PDB ligand accession: EDO
DrugBank: n/a
PubChem: 174
ChEMBL: CHEMBL457299
InChI Key: LYCAIKOWRPUZTN-UHFFFAOYSA-N
SMILES: C(CO)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Alcohols and polyols

List of PDB structures and/or AlphaFold models with target protein Q9H2K2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3TWT	Download	Experimental	e3twtA1 e3twtB1 e3twtB1 e3twtA1 e3twtC1 e3twtD1	Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
3TWV	Download	Experimental	e3twvB1 e3twvC1 e3twvA1 e3twvD1	Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
4PML	Download	Experimental	e4pmlA1 e4pmlB1 e4pmlC1 e4pmlD1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot
3TWX	Download	Experimental	e3twxA1	Repetitive alpha hairpins	LigPlot
4PNM	Download	Experimental	e4pnmC1 e4pnmD1	ADP-ribosylation ADP-ribosylation	LigPlot
4PNL	Download	Experimental	e4pnlA1 e4pnlC1 e4pnlB1 e4pnlC1 e4pnlD1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot
3TWS	Download	Experimental	e3twsA1 e3twsC1 e3twsB1 e3twsC1 e3twsD1	Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot