Ligand name: ACETOACETYL-COENZYME A
PDB ligand accession: CAA
DrugBank: DB03059
PubChem: 92153
ChEMBL: n/a
InChI Key: OJFDKHTZOUZBOS-CITAKDKDSA-N
SMILES: CC(=O)CC(=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 O06414

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1Q51	Download	Experimental	e1q51D1 e1q51A1 e1q51F1 e1q51B1 e1q51E1 e1q51C1 e1q51J1 e1q51G1 e1q51L1 e1q51H1 e1q51K1 e1q51I1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot