Ligand name: (2S)-N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2S)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide
PDB ligand accession: S33
DrugBank: n/a
PubChem: 66545740
ChEMBL: n/a
InChI Key: MSHHPYQVXLZTQG-NSOVKSMOSA-N
SMILES: COc1ccc(cc1Cl)S(=O)(=O)NC(CC(=O)NCc2ccc(cc2)C#N)C(=O)N3CCCC3C(=O)NCc4cc(ccc4CN)Cl

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 S33

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P00734_S33	P00734	n/a