Ligand name: (3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid
PDB ligand accession: B92
DrugBank: n/a
PubChem: 49866675
ChEMBL: n/a
InChI Key: BGEXQSKGWCDSIQ-MLCQCVOFSA-N
SMILES: CC(=O)C(CC(=O)O)NC(=O)C1C=C2CCCCC2N3N1C(=O)N(C3=O)CC(CCC(=O)O)NC(=O)Cc4ccccc4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Peptidomimetics
      • Subclass: Hybrid peptides

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
3KJF	Download	Experimental	e3kjf.1	Caspase-like	LigPlot