Ligand name: (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE
PDB ligand accession: TIO
DrugBank: DB08626
PubChem: 4369380
ChEMBL: CHEMBL298827
InChI Key: LJJKNPQAGWVLDQ-SNVBAGLBSA-N
SMILES: c1ccc(cc1)CC(CS)C(=O)NCC(=O)O

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 TIO

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P08049_TIO	P08049	Neprilysin (EC 3.4.24.11)	n/a	Ki(nM) = 1.9 IC50(nM) = 1.9
2	P08473_TIO	P08473	Neprilysin (EC 3.4.24.11)	inhibitor	Ki(nM) = 1.5 IC50(nM) = 20.0
3	P00800_TIO	P00800	Thermolysin (EC 3.4.24.27)	n/a	Ki(nM) = 1800.0 IC50(nM) = 1800.0