Ligand name: OCTANOIC ACID (CAPRYLIC ACID)
PDB ligand accession: OCA
DrugBank: DB04519
PubChem: 379;135372298;
ChEMBL: CHEMBL324846
InChI Key: WWZKQHOCKIZLMA-UHFFFAOYSA-N
SMILES: CCCCCCCC(=O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein B2HNE1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7D41	Download	Experimental	e7d41B1 e7d41B2 e7d41A1 e7d41A2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot