Ligand name: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL
PDB ligand accession: ETM
DrugBank: DB01803
PubChem: 37851
ChEMBL: CHEMBL136145
InChI Key: VFUGTBZQGUVGEX-UHFFFAOYSA-O
SMILES: C[N+](C)(C)CCS
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 Q9HUP2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6UQX	Download	Experimental	e6uqxB1	Flavodoxin-like	LigPlot
6UQZ	Download	Experimental	e6uqzA1 e6uqzB1	Flavodoxin-like Flavodoxin-like	LigPlot
6UR0	Download	Experimental	e6ur0A1 e6ur0B1	Flavodoxin-like Flavodoxin-like	LigPlot
8D8Y	Download	Experimental	e8d8yA1 e8d8yB1	Flavodoxin-like Flavodoxin-like	LigPlot
6UQW	Download	Experimental	e6uqwA1 e6uqwB1	Flavodoxin-like Flavodoxin-like	LigPlot
8D8Z	Download	Experimental	e8d8zA1 e8d8zB1	Flavodoxin-like Flavodoxin-like	LigPlot
8D8X	Download	Experimental	e8d8xA1	Flavodoxin-like	LigPlot