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Target
Cathepsin S
Ligand
BDBM423462
Substrate
n/a
Meas. Tech.
ChEMBL_2213567 (CHEMBL5126699)
IC50
40±n/a nM
Citation
 Bai, B; Arutyunova, E; Khan, MB; Lu, J; Joyce, MA; Saffran, HA; Shields, JA; Kandadai, AS; Belovodskiy, A; Hena, M; Vuong, W; Lamer, T; Young, HS; Vederas, JC; Tyrrell, DL; Lemieux, MJ; Nieman, JA Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors. RSC Med Chem 12:1722-1730 (2021) [PubMed] 
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:
BDBM423462
Synonyms:
US11753373, Compound A-5-a | WO2006061714, P38.2 | WO2006061714-ID-04
Type:
Small Organic Molecule
Emp. Form.:
C23H30N4O5
Mol. Mass.:
442.5081
SMILES:
COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Structure:
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