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Target
Cathepsin S
Ligand
BDBM50321625
Substrate
n/a
Meas. Tech.
D3R2020
IC50
56±n/a nM
Citation
 D3R, DD Drug Design Data Resource Grand Challenge 3 Dataset: CathepsinS D3R 1:0 (2020) [PubMed] 
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM50321625
Synonyms:
CHEMBL1171503 | CatS_4 | N-(2-chloro-5-(2-(3-(4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propyl)-3-oxo-2,3-dihydropyridazin-4-yl)benzyl)-4-fluorobenzamide
Type:
Small organic molecule
Emp. Form.:
C34H33Cl2FN6O3
Mol. Mass.:
663.569
SMILES:
Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nccc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O
Structure:
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