Reaction Details Report a problem with these data
Target
Cathepsin S [115-331,C139S]
Ligand
BDBM586990
Substrate
n/a
Meas. Tech.
D3R2028
IC50
6.50±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:
BDBM586990
Synonyms:
CatS_158
Type:
Small Organic Molecule
Emp. Form.:
C34H43F5N6O3S2
Mol. Mass.:
742.866
SMILES:
CS(=O)(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCC(CC1)c1ccccn1)-c1ccc(c(SCCN2CCCC(F)(F)C2)c1)C(F)(F)F
Structure:
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