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 Q9H6W3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CCK	Download	Experimental	e4cckA1 e4cckA2 e4cckB1 e4cckA1 e4cckA2 e4cckB1 e4cckB2 e4cckC2 e4cckD2	jelly-roll HTH jelly-roll jelly-roll HTH jelly-roll HTH jelly-roll jelly-roll	LigPlot
4CCM	Download	Experimental	e4ccmA1 e4ccmB2 e4ccmA1 e4ccmA2 e4ccmB2	jelly-roll jelly-roll jelly-roll HTH jelly-roll	LigPlot
4CCN	Download	Experimental	e4ccnB2	jelly-roll	LigPlot
4CCO	Download	Experimental	e4ccoA2 e4ccoB1 e4ccoB2 e4ccoA2 e4ccoB2	jelly-roll HTH jelly-roll jelly-roll jelly-roll	LigPlot
4CCJ	Download	Experimental	e4ccjB1 e4ccjB2 e4ccjD1 e4ccjA1 e4ccjC1 e4ccjB1 e4ccjD1 e4ccjD2	jelly-roll HTH jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll HTH	LigPlot