Ligand name: 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
PDB ligand accession: 160
DrugBank: n/a
PubChem: 447402
ChEMBL: n/a
InChI Key: VIJJMTFSKSTKFB-INIZCTEOSA-N
SMILES: CC(=O)C(CC(=O)O)NS(=O)(=O)c1cccc(c1)CSSCCNC(=O)c2ccc(s2)S(=O)(=O)C
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 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
1NMQ	Download	Experimental	e1nmqA1 e1nmqB1	Caspase-like Caspase-like	LigPlot