Reaction Details Report a problem with these data
Target
Cathepsin S [115-331,C139S]
Ligand
BDBM586952
Substrate
n/a
Meas. Tech.
D3R2028
IC50
15±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:
BDBM586952
Synonyms:
CatS_120
Type:
Small Organic Molecule
Emp. Form.:
C35H43F4N7O3S2
Mol. Mass.:
749.885
SMILES:
CS(=O)(=O)N1CCc2c(C1)c(nn2C[C@H](O)CN1CCN(CC1)c1ccccc1C#N)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Structure:
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