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Target
Cathepsin S
Ligand
BDBM50602544
Substrate
n/a
Meas. Tech.
ChEMBL_2241118 (CHEMBL5155328)
IC50
0.015±n/a nM
Citation
 Ashhurst, AS; Tang, AH; Fajtová, P; Yoon, MC; Aggarwal, A; Bedding, MJ; Stoye, A; Beretta, L; Pwee, D; Drelich, A; Skinner, D; Li, L; Meek, TD; McKerrow, JH; Hook, V; Tseng, CT; Larance, M; Turville, S; Gerwick, WH; O'Donoghue, AJ; Payne, RJ Potent Anti-SARS-CoV-2 Activity by the Natural Product Gallinamide A and Analogues via Inhibition of Cathepsin L. J Med Chem 65:2956-2970 (2022) [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:
BDBM50602544
Synonyms:
CHEMBL4594757
Type:
Small organic molecule
Emp. Form.:
C38H54N6O6
Mol. Mass.:
690.872
SMILES:
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|
Structure:
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