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 Q79ZY6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1XPK	Download	Experimental	e1xpkA1 e1xpkA2 e1xpkB1 e1xpkB2 e1xpkD1 e1xpkD2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot
1XPM	Download	Experimental	e1xpmA1 e1xpmA2 e1xpmB1 e1xpmB2 e1xpmC1 e1xpmC2 e1xpmD1 e1xpmD2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot
1XPL	Download	Experimental	e1xplA1 e1xplA2 e1xplB1 e1xplB2 e1xplC1 e1xplC2 e1xplD1 e1xplD2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot