Ligand name: N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
PDB ligand accession: PS4
DrugBank: DB08429
PubChem: 42608447
ChEMBL: CHEMBL564249
InChI Key: QRGBOABBMKYMLG-UXHICEINSA-N
SMILES: CS(=O)(=O)c1cccc(c1)C(=O)NCC2CCCN2C(=O)CC(Cc3cccc(c3)Cl)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 PS4

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P27487_PS4	P27487	n/a	IC50(nM) = 0.38