Ligand name: 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID
PDB ligand accession: 161
DrugBank: DB03124
PubChem: 5287429
ChEMBL: n/a
InChI Key: LBAHOXPDTNUYCX-INIZCTEOSA-N
SMILES: CC(=O)C(CC(=O)O)NC(=O)c1ccc(cc1)CNS(=O)(=O)c2ccc(c(c2)C(=O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P42574

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1NMS	Download	Experimental	e1nmsA1 e1nmsB1	Caspase-like Caspase-like	LigPlot