Reaction Details Report a problem with these data
Target
Cathepsin S [115-331,C139S]
Ligand
BDBM586989
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:
BDBM586989
Synonyms:
CatS_157
Type:
Small Organic Molecule
Emp. Form.:
C31H43F5N6O5S2
Mol. Mass.:
738.832
SMILES:
CS(=O)(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCC(CC1)NC(=O)CO)-c1ccc(c(SCCN2CCCC(F)(F)C2)c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: