Ligand name: benzoyl coenzyme A
PDB ligand accession: BYC
DrugBank: n/a
PubChem: 9543169
ChEMBL: n/a
InChI Key: VEVJTUNLALKRNO-TYHXJLICSA-N
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)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 K9MST3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5WC4	Download	Experimental	e5wc4A1 e5wc4A2 e5wc4B1 e5wc4A1 e5wc4A2 e5wc4B1 e5wc4B2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot