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 P53779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6EKD	Download	Experimental	e6ekdA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6EMH	Download	Experimental	e6emhA1 e6emhB1 e6emhC1 e6emhD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3FI3	Download	Experimental	e3fi3A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3FI2	Download	Experimental	e3fi2A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2R9S	Download	Experimental	e2r9sA1 e2r9sA1 e2r9sB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7ORF	Download	Experimental	e7orfA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7ORE	Download	Experimental	e7oreA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
8BZP	Download	Experimental	e8bzpA1 e8bzpB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
3FV8	Download	Experimental	e3fv8A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot