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Target
Cathepsin S [115-331,C139S]
Ligand
BDBM587281
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:
BDBM587281
Synonyms:
CatS_449
Type:
Small Organic Molecule
Emp. Form.:
C34H40Cl2N6O3
Mol. Mass.:
651.626
SMILES:
CCCNCc1cc(ccc1Cl)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOC[C@@H]2C)c2CCN(Cc12)C(=O)C(N)=O
Structure:
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