Ligand name: OCTANOYL-COENZYME A
PDB ligand accession: CO8
DrugBank: DB02910
PubChem: 445344
ChEMBL: n/a
InChI Key: KQMZYOXOBSXMII-CECATXLMSA-N
SMILES: CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q05871

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4ZDC	Download	Experimental	e4zdcA1 e4zdcB1 e4zdcC1	ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot
1K39	Download	Experimental	e1k39A1 e1k39B1 e1k39C1	ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot