Ligand name: ethyl 5-oxohexanoate
PDB ligand accession: BKN
DrugBank: n/a
PubChem: 84130
ChEMBL: n/a
InChI Key: MGPSIDGTLFKDEY-UHFFFAOYSA-N
SMILES: CCOC(=O)CCCC(=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Fatty Acyls
      • Subclass: Fatty acid esters

List of PDB structures and/or AlphaFold models with target protein Q0CCT3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6EOI	Download	Experimental	e6eoiA2 e6eoiB1 e6eoiB2 e6eoiA1 e6eoiA2 e6eoiB1	6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like	LigPlot