Ligand name: (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID
PDB ligand accession: 3CY
DrugBank: n/a
PubChem: 5287496
ChEMBL: n/a
InChI Key: PEECWFLPGAWBQR-ZJZGAYNASA-N
SMILES: CC(=O)NC(CC(=O)O)C(=O)NC1CCc2cccc3c2N(C1=O)C(C3)C(=O)NC(CC(=O)O)C(=O)CSCc4ccccc4
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
1RHU	Download	Experimental	e1rhu.1	Caspase-like	LigPlot