Brief Information of the Compound and Protein
Compound Name
 Compound Info 
5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE
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 PubChem ID
CID: 5287549
SID: 15758632
Canonical SMILES
CC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1)C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc1cccc(c1)-c1ccccn1
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Compound Formula C40H47N5O7
Compound Structure
Protein Name
 Protein Info 
Cathepsin S
Protein Classification
Enzyme
>
Protease
>
Cysteine protease
>
Cysteine protease CA clan
>
Cysteine protease C1A family
Uniprot ID
P25774
Gene Name
CTSS
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000174 Raji
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 940 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8.3 nM
2 Ki = 8.3 nM
3 Ki = 14 nM