Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50229129
Substrate
n/a
Meas. Tech.
ChEMBL_1858201 (CHEMBL4358930)
IC50
5.7±n/a nM
Citation
 Chenna, BC; Li, L; Mellott, DM; Zhai, X; Siqueira-Neto, JL; Calvet Alvarez, C; Bernatchez, JA; Desormeaux, E; Alvarez Hernandez, E; Gomez, J; McKerrow, JH; Cruz-Reyes, J; Meek, TD Peptidomimetic Vinyl Heterocyclic Inhibitors of Cruzain Effect Antitrypanosomal Activity. J Med Chem 63:3298-3316 (2020) [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:
BDBM50229129
Synonyms:
4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-(S)-3-benzenesulfonyl-1-phenethyl-allylcarbamoyl)-2-phenyl-ethyl]-amide | 4-[(S)-1-((E)-(S)-3-benzenesulfonyl-1-phenethyl-allylcarbamoyl)-2-phenyl-ethylcarbamoyl]-1-methyl-piperazin-1-ium | 4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)propan-2-yl)piperazine-1-carboxamide | 4-methyl-N-((S)-1-oxo-3-phenyl-1-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)propan-2-yl)piperazine-1-carboxamide | CHEMBL91704 | K-777
Type:
Small organic molecule
Emp. Form.:
C32H38N4O4S
Mol. Mass.:
574.734
SMILES:
CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34|
Structure:
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