Ligand name: N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE
PDB ligand accession: QIN
DrugBank: n/a
PubChem: 16741220
ChEMBL: n/a
InChI Key: MSSOOXCWRUWADA-CZGNIMDHSA-N
SMILES: CCCCC(C(Cc1ccsc1)NC(=O)c2cc(nc(c2)N(C)S(=O)(=O)C)NCC3CC3C)N

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Hydropyridines

List of proteins that are targets for QIN

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P56817_QIN	P56817	Beta-secretase 1 (EC	n/a