Ligand name: methyl 3-sulfanylpropanoate
PDB ligand accession: GYF
DrugBank: n/a
PubChem: 18050
ChEMBL: CHEMBL3188420
InChI Key: LDTLDBDUBGAEDT-UHFFFAOYSA-N
SMILES: COC(=O)CCS
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Carboxylic acid derivatives

List of PDB structures and/or AlphaFold models with target protein J4WAT9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7D79	Download	Experimental	e7d79B1	alpha/beta-Hydrolases	LigPlot