Ligand name: 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid
PDB ligand accession: VAB
DrugBank: n/a
PubChem: 331941
ChEMBL: CHEMBL2059001
InChI Key: MTRGAKUTJCSVKA-UHFFFAOYSA-N
SMILES: C=CCSc1nc2ccc(cc2s1)NC(=O)CCC(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzothiazoles
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P04642

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4AJ4	Download	Experimental	e4aj4A2 e4aj4B2 e4aj4C2 e4aj4D2	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot