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 Q96329

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2IX5	Download	Experimental	e2ix5A1 e2ix5A2 e2ix5A3 e2ix5B3 e2ix5A1 e2ix5A3 e2ix5B1 e2ix5B2 e2ix5B3 e2ix5C1 e2ix5C2 e2ix5C3 e2ix5D3 e2ix5C3 e2ix5D1 e2ix5D2 e2ix5D3	Acyl-CoA dehydrogenase middle domain-like Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like Bromodomain-like Acyl-CoA dehydrogenase middle domain-like Bromodomain-like Acyl-CoA dehydrogenase middle domain-like Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like Acyl-CoA dehydrogenase middle domain-like Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like Bromodomain-like Bromodomain-like Acyl-CoA dehydrogenase middle domain-like Acyl-CoA dehydrogenase N-terminal domain-like Bromodomain-like	LigPlot