Ligand name: (3S,6S,7R,9aS)-7-[2-(benzylamino)ethyl]-N-(diphenylmethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
PDB ligand accession: BMB
DrugBank: n/a
PubChem: 44596256
ChEMBL: CHEMBL575256
InChI Key: NVNDSZWHCFDEAR-UCDLYESDSA-N
SMILES: CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCNCc5ccccc5)NC
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 Q13490

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3OZ1	Download	Experimental	e3oz1A1 e3oz1B1 e3oz1C1 e3oz1D1	Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat	LigPlot