Ligand name: (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
PDB ligand accession: SMK
DrugBank: n/a
PubChem: 25058143
ChEMBL: CHEMBL574027
InChI Key: KQHWCFZCUNTTCW-VEGWMBEDSA-N
SMILES: CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCN)N
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
3MUP	Download	Experimental	e3mupA1 e3mupB1 e3mupC1 e3mupB1 e3mupD1 e3mupA1 e3mupC1 e3mupB1 e3mupC1 e3mupD1	Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat	LigPlot