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 O59952

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6XS3	Download	Experimental	e6xs3A1 e6xs3D1 e6xs3B1 e6xs3E1 e6xs3B1 e6xs3C1 e6xs3C1 e6xs3E1 e6xs3D1 e6xs3F1 e6xs3A1 e6xs3F1	alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
6XRV	Download	Experimental	e6xrvA1 e6xrvD1 e6xrvB1 e6xrvE1 e6xrvB1 e6xrvC1 e6xrvC1 e6xrvE1 e6xrvD1 e6xrvF1 e6xrvA1 e6xrvF1	alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot