Ligand name: (3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-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: B93
DrugBank: n/a
PubChem: 49866676
ChEMBL: n/a
InChI Key: CSBIJWXSABAIKK-UPVQGACJSA-N
SMILES: CC(=O)C(CC(=O)O)NC(=O)C1C=C(CN2N1C(=O)N(C2=O)CCNC(=O)c3ccc4c(c3)nc[nH]4)CC5CCCCC5
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
3KJN	Download	Experimental	e3kjn.1	Caspase-like	LigPlot