Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50335283
Substrate
n/a
Meas. Tech.
ChEMBL_702785 (CHEMBL1655228)
Ki
1.3±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
More Info.:
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:
BDBM50335283
Synonyms:
CHEMBL1651357 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazol-3-yl]benzylcarbamoyl}-leucyl-methylazalanine-nitrile | acs.jmedchem.1c00409_ST.406
Type:
Small organic molecule
Emp. Form.:
C23H27N7O3S
Mol. Mass.:
481.571
SMILES:
CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N |r|