Ligand name: (2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE
PDB ligand accession: I03
DrugBank: n/a
PubChem: 11963550
ChEMBL: n/a
InChI Key: JVYHUOIVVLDSHT-GDJIYFAZSA-N
SMILES: CC(c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)OCC(Cc3ccccc3)(CO)N

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of proteins that are targets for I03

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P56817_I03	P56817	Beta-secretase 1 (EC	n/a