Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50560484
Substrate
n/a
Meas. Tech.
ChEMBL_2072255 (CHEMBL4727789)
Ki
75±n/a nM
Citation
 Lemke, C; Cianni, L; Feldmann, C; Gilberg, E; Yin, J; Dos Reis Rocho, F; de Vita, D; Bartz, U; Bajorath, J; Montanari, CA; Gütschow, M N-Sulfonyl dipeptide nitriles as inhibitors of human cathepsin S: In silico design, synthesis and biochemical characterization. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article 
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM50560484
Synonyms:
CHEMBL4792083
Type:
Small organic molecule
Emp. Form.:
C25H23N3O3S
Mol. Mass.:
445.533
SMILES:
O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: