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Target
Cathepsin S [115-331,C139S]
Ligand
BDBM587261
Substrate
n/a
Meas. Tech.
D3R2028
IC50
20±n/a nM
Citation
 D3R, DD Drug Design Data Resource Grand Challenge 4 Dataset: CathepsinS D3R  D3R Publication Date -1/6/2020 
Target
Name:
Cathepsin S [115-331,C139S]
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S C25S
Type:
Protein
Mol. Mass.:
24036.72
Organism:
Human
Description:
P25774[115-331,C139S]
Residue:
218
Sequence:
ALPDSVDWREKGCVTEVKYQGSCGASWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM587261
Synonyms:
CatS_429
Type:
Small Organic Molecule
Emp. Form.:
C36H41Cl2N7O4
Mol. Mass.:
706.661
SMILES:
C[C@H]1COCCN1CCCn1nc(c2CN(CCc12)C(=O)C(N)=O)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(c1)C(=O)NC[C@@H]1CCNC1
Structure:
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