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Target
Cathepsin S [115-331,C139S]
Ligand
BDBM587275
Substrate
n/a
Meas. Tech.
D3R2028
IC50
25±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:
BDBM587275
Synonyms:
CatS_443
Type:
Small Organic Molecule
Emp. Form.:
C34H38Cl2N6O2
Mol. Mass.:
633.611
SMILES:
NC(=O)C(=O)N1CCc2c(C1)c(nn2CCCN1CCCCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(CNC2CC2)c1
Structure:
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