Ligand name: Sinigrin
PDB ligand accession: SZZ
DrugBank: n/a
PubChem: 6911854
ChEMBL: n/a
InChI Key: PHZOWSSBXJXFOR-PTGZALFTSA-N
SMILES: C=CCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbohydrates and carbohydrate conjugates

List of PDB structures and/or AlphaFold models with target protein Q9C9C9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5MEX	Download	Experimental	e5mexA1	P-loop domains-like	LigPlot