Reaction Details  Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50071968
Substrate
n/a
Meas. Tech.
ChEBML_47406
IC50
172000±n/a nM
Citation
 Llinàs-Brunet, M; Bailey, M; Déziel, R; Fazal, G; Gorys, V; Goulet, S; Halmos, T; Maurice, R; Poirier, M; Poupart, MA; Rancourt, J; Thibeault, D; Wernic, D; Lamarre, D Studies on the C-terminal of hexapeptide inhibitors of the hepatitis C virus serine protease. Bioorg Med Chem Lett 8:2719-24 (1999) [PubMed]
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:
BDBM50071968
Synonyms:
(S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-1-{(S)-1-[2-((S)-1-benzylaminooxalyl-butylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-butyl)-succinamic acid | CHEMBL2370184
Type:
Small organic molecule
Emp. Form.:
C39H57N7O12
Mol. Mass.:
815.9096
SMILES:
CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(=O)NCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: