Ligand name: 4-HYDROXYBENZYL COENZYME A
PDB ligand accession: 4CA
DrugBank: DB04067
PubChem: 446969
ChEMBL: n/a
InChI Key: FZQUTWRNQJPTSH-SXQYHYLKSA-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)NCCSCc4ccc(cc4)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: S-alkyl-CoAs
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q04416

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1Q4U	Download	Experimental	e1q4uA1 e1q4uB1	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot