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Target
Cathepsin S [115-331,C139S]
Ligand
BDBM587012
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:
BDBM587012
Synonyms:
CatS_180
Type:
Small Organic Molecule
Emp. Form.:
C35H50F5N5O3S2
Mol. Mass.:
747.925
SMILES:
CS(=O)(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCC(CC1)C1CCCCC1)-c1ccc(c(SCCN2CCC(F)(F)CC2)c1)C(F)(F)F
Structure:
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