Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50335277
Substrate
n/a
Meas. Tech.
ChEMBL_702785 (CHEMBL1655228)
Ki
0.88±n/a nM
Citation
 Frizler, M; Lohr, F; Furtmann, N; Kläs, J; Gütschow, M Structural optimization of azadipeptide nitriles strongly increases association rates and allows the development of selective cathepsin inhibitors. J Med Chem 54:396-400 (2011) [PubMed]  Article 
Target
Name:
Cathepsin B
Synonyms:
APP secretase | APPS | CATB_HUMAN | CPSB | CTSB | Cathepsin B heavy chain | Cathepsin B light chain | Cathepsin B1
Type:
Enzyme
Mol. Mass.:
37819.69
Organism:
Homo sapiens (Human)
Description:
gi_63102437
Residue:
339
Sequence:
MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCGTFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDRICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCRPYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIMAEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSWNTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
  
Inhibitor
Name:
BDBM50335277
Synonyms:
CHEMBL1651351 | N-(Benzyloxycarbonyl)-isoleucyl-methylazalanine-nitrile
Type:
Small organic molecule
Emp. Form.:
C17H24N4O3
Mol. Mass.:
332.3975
SMILES:
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N |r|
Structure:
Search PDB for entries with ligand similarity: