Ligand name: (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid
PDB ligand accession: B94
DrugBank: n/a
PubChem: 49866677
ChEMBL: n/a
InChI Key: FCUBCMCZKNHBIS-UFYCRDLUSA-N
SMILES: CC(=O)C(CC(=O)O)NC(=O)C1C=CC(N2N1C(=O)N(C2=O)CCCC(=O)O)CCNC(=O)Cc3ccc(cc3)Cl
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 Q14790

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3KJQ	Download	Experimental	e3kjq.1	Caspase-like	LigPlot