Ligand name: 1-THIOETHANESULFONIC ACID
PDB ligand accession: COM
DrugBank: DB09110
PubChem: 598
ChEMBL: CHEMBL1098319
InChI Key: ZNEWHQLOPFWXOF-UHFFFAOYSA-N
SMILES: C(CS(=O)(=O)O)S
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Organic sulfonic acids and derivatives
      • Subclass: Organosulfonic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein D1JBK4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3SQG	Download	Experimental	e3sqgA2 e3sqgB1 e3sqgC1 e3sqgD2 e3sqgA1 e3sqgD1 e3sqgE1 e3sqgF1 e3sqgG1 e3sqgG2 e3sqgH1 e3sqgI1	Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits	LigPlot