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 Q81W29

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4MJM	Download	Experimental	e4mjmA1 e4mjmB1 e4mjmC1 e4mjmC1 e4mjmD1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
4MYX	Download	Experimental	e4myxA1 e4myxD1 e4myxB1 e4myxC1 e4myxD1 e4myxE1 e4myxE1 e4myxF1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
5URS	Download	Experimental	e5ursA1 e5ursC1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
4MY8	Download	Experimental	e4my8A1 e4my8B1 e4my8C1 e4my8D1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot