Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM20109
Substrate
n/a
Meas. Tech.
ChEMBL_1577550 (CHEMBL3807026)
pH
6±n/a
Ki
>330±n/a nM
Comments
extracted
Citation
 Schmitz, J; Li, T; Bartz, U; Gütschow, M Cathepsin B Inhibitors: Combining Dipeptide Nitriles with an Occluding Loop Recognition Element by Click Chemistry. ACS Med Chem Lett 7:211-6 (2016) [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:
BDBM20109
Synonyms:
dipeptide-derived nitrile, 30 | tert-butyl N-[(1S)-2-(2-bromophenyl)-1-[(cyanomethyl)carbamoyl]ethyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C16H20BrN3O3
Mol. Mass.:
382.252
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCC#N |r|
Structure:
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