Ligand name: 3-[DODECYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE
PDB ligand accession: SBY
DrugBank: n/a
PubChem: 84703
ChEMBL: CHEMBL1235854
InChI Key: IZWSFJTYBVKZNK-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Quaternary ammonium salts

List of PDB structures and/or AlphaFold models with target protein Q72AS3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ZE6	Download	Experimental	e3ze6B2	alpha-helical domain in nickel-iron hydrogenase, large subunit	LigPlot
2WPN	Download	Experimental	e2wpnB2 e2wpnA2	alpha-helical domain in nickel-iron hydrogenase, large subunit Flavodoxin-like	LigPlot