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 C9ZUV7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5AB6	Download	Experimental	e5ab6A1 e5ab6A2 e5ab6B1 e5ab6A1 e5ab6B1 e5ab6B2 e5ab6C1 e5ab6C2 e5ab6D2 e5ab6C2 e5ab6D1 e5ab6D2 e5ab6E1 e5ab6E2 e5ab6F2 e5ab6E1 e5ab6E2 e5ab6F1 e5ab6F2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot