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 Q39TV8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4Z3Y	Download	Experimental	e4z3yA1 e4z3yA2 e4z3yB1 e4z3yB2 e4z3yC1 e4z3yC2 e4z3yD1 e4z3yD2	Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C	LigPlot