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 Q9C169

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6NT1	Download	Experimental	e6nt1A2 e6nt1B3 e6nt1B2 e6nt1C2 e6nt1C2	Barrel domain in heme-dependent catalases Second alpha-helical domain in heme-dependent catalases Flavodoxin-like Flavodoxin-like Flavodoxin-like	LigPlot
6NT0	Download	Experimental	e6nt0A1 e6nt0B2 e6nt0B3 e6nt0C1 e6nt0C1	Barrel domain in heme-dependent catalases Second alpha-helical domain in heme-dependent catalases Flavodoxin-like Flavodoxin-like Flavodoxin-like	LigPlot
6NSZ	Download	Experimental	e6nszA3 e6nszB3 e6nszB2 e6nszC3 e6nszC2	Barrel domain in heme-dependent catalases Second alpha-helical domain in heme-dependent catalases Flavodoxin-like Flavodoxin-like Second alpha-helical domain in heme-dependent catalases	LigPlot
6NSW	Download	Experimental	e6nswA1 e6nswC3	Second alpha-helical domain in heme-dependent catalases Second alpha-helical domain in heme-dependent catalases	LigPlot
6NSY	Download	Experimental	e6nsyA3 e6nsyB2 e6nsyB3 e6nsyC1 e6nsyC3	Barrel domain in heme-dependent catalases Second alpha-helical domain in heme-dependent catalases Flavodoxin-like Flavodoxin-like Second alpha-helical domain in heme-dependent catalases	LigPlot