Index PDB ID Protein Name Organism UniProt ID Ligand Name Canonical SMILES HET Code 1 3N3G Cathepsin S Homo sapiens (Human) P25774 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile CN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cccc(n2)C#N)CC1 935