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Target
Cathepsin B
Ligand
BDBM50331779
Substrate
n/a
Meas. Tech.
ChEMBL_686697 (CHEMBL1290877)
IC50
68±n/a nM
Citation
 Beaulieu, C; Isabel, E; Fortier, A; Massé, F; Mellon, C; Méthot, N; Ndao, M; Nicoll-Griffith, D; Lee, D; Park, H; Black, WC Identification of potent and reversible cruzipain inhibitors for the treatment of Chagas disease. Bioorg Med Chem Lett 20:7444-9 (2010) [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:
Human
Description:
gi_63102437
Residue:
339
Sequence:
MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCGTFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDRICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCRPYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIMAEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSWNTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
  
Inhibitor
Name:
BDBM50331779
Synonyms:
(S)-N-((S)-1-cyano-2-phenylethyl)-2-cyclopropyl-2-((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)biphenyl-4-yl)ethylamino)acetamide | CHEMBL1290303
Type:
Small organic molecule
Emp. Form.:
C29H28F3N3O3S
Mol. Mass.:
555.611
SMILES:
CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](C1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r|
Structure:
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