Ligand name: (3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid
PDB ligand accession: 2BL
DrugBank: DB06951
PubChem: 444650
ChEMBL: n/a
InChI Key: KPHLTCNXHCHMOW-MNOVXSKESA-N
SMILES: CCC(C(C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Toluenes

List of PDB structures and/or AlphaFold models with target protein P00772

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1BTU	Download	Experimental	e1btuA1	cradle loop barrel	LigPlot