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Target
Cathepsin B
Ligand
BDBM50549379
Substrate
n/a
Meas. Tech.
ChEMBL_2024586 (CHEMBL4678399)
Ki
13±n/a nM
Citation
 Cianni, L; Rocho, FDR; Bonatto, V; Martins, FCP; Lameira, J; Leitão, A; Montanari, CA; Shamim, A Design, synthesis and stepwise optimization of nitrile-based inhibitors of cathepsins B and L. Bioorg Med Chem 29:0 (2021) [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:
BDBM50549379
Synonyms:
CHEMBL4749112
Type:
Small organic molecule
Emp. Form.:
C32H29BrN4O3
Mol. Mass.:
597.502
SMILES:
C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(cc1)-c1cccnc1)C#N |r|
Structure:
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