Ligand name: DI(HYDROXYETHYL)ETHER
PDB ligand accession: PEG
DrugBank: n/a
PubChem: 8117
ChEMBL: CHEMBL1235226
InChI Key: MTHSVFCYNBDYFN-UHFFFAOYSA-N
SMILES: C(COCCO)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 P53779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6EQ9	Download	Experimental	e6eq9A1 e6eq9B1 e6eq9B1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6EMH	Download	Experimental	e6emhC1 e6emhD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
8BZP	Download	Experimental	e8bzpA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot