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Target
Cathepsin S [115-331,C139S]
Ligand
BDBM586953
Substrate
n/a
Meas. Tech.
D3R2028
IC50
20±n/a nM
Citation
 D3R, DD Drug Design Data Resource Grand Challenge 4 Dataset: CathepsinS D3R 1:0 (2020) [PubMed] 
Target
Name:
Cathepsin S [115-331,C139S]
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S C25S
Type:
Protein
Mol. Mass.:
24036.72
Organism:
Homo sapiens (Human)
Description:
P25774[115-331,C139S]
Residue:
218
Sequence:
ALPDSVDWREKGCVTEVKYQGSCGASWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM586953
Synonyms:
CatS_121
Type:
Small Organic Molecule
Emp. Form.:
C36H47F4N5O4S2
Mol. Mass.:
753.913
SMILES:
COc1ccccc1C1CCN(C[C@@H](O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(c(SCCN3CCC(F)CC3)c2)C(F)(F)F)CC1
Structure:
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