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

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of proteins that are targets for SMK

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q13490_SMK	Q13490	n/a
2	P98170_SMK	P98170	n/a