Target
Cathepsin S
Ligand
BDBM496896
Substrate
n/a
Meas. Tech.
ChEMBL_2213567 (CHEMBL5126699)
IC50
700±n/a nM
Citation
 Bai, BArutyunova, EKhan, MBLu, JJoyce, MASaffran, HAShields, JAKandadai, ASBelovodskiy, AHena, MVuong, WLamer, TYoung, HSVederas, JCTyrrell, DLLemieux, MJNieman, 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:
BDBM496896
Synonyms:
US11312704, Compound 101 | US11351149, Example 49 | US11472793, Compound 101 | US11753373, Compound A-5-b | WO2021250648, Example 4 | science.abl4784, 2
Type:
Small organic molecule
Emp. Form.:
C23H29N5O4
Mol. Mass.:
439.5075
SMILES:
COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Structure:
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