Reaction Details  Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50425022
Substrate
n/a
Meas. Tech.
ChEMBL_936334 (CHEMBL2321266)
Ki
127000±n/a nM
Citation
 Sosic, I; Mirkovic, B; Arenz, K; Stefane, B; Kos, J; Gobec, S Development of new cathepsin B inhibitors: combining bioisosteric replacements and structure-based design to explore the structure-activity relationships of nitroxoline derivatives. J Med Chem 56:521-33 (2013) [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:
BDBM50425022
Synonyms:
CHEMBL2312207
Type:
Small organic molecule
Emp. Form.:
C16H13N3O2
Mol. Mass.:
279.2933
SMILES:
[O-][N+](=O)c1ccc(NCc2ccccc2)c2ncccc12
Structure:
Search PDB for entries with ligand similarity: