Reaction Details Report a problem with these data
Target
Cathepsin S [115-331,C139S]
Ligand
BDBM587287
Substrate
n/a
Meas. Tech.
D3R2028
IC50
30±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:
BDBM587287
Synonyms:
CatS_455
Type:
Small Organic Molecule
Emp. Form.:
C31H36Cl2N6OS
Mol. Mass.:
611.628
SMILES:
CN(C)Cc1cc(ccc1Cl)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCSCC2)c2CCN(Cc12)C(N)=O
Structure:
Search PDB for entries with ligand similarity: