Reaction Details  Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50257014
Substrate
n/a
Meas. Tech.
ChEMBL_562602 (CHEMBL1016183)
Ki
6400±n/a nM
Citation
 Ettari, R; Micale, N; Schirmeister, T; Gelhaus, C; Leippe, M; Nizi, E; Di Francesco, ME; Grasso, S; Zappalà, M Novel peptidomimetics containing a vinyl ester moiety as highly potent and selective falcipain-2 inhibitors. J Med Chem 52:2157-60 (2009) [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:
BDBM50257014
Synonyms:
(4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid 1-[(3-dimethylcarbamoyl-(1S)-1-phenethyl-allylcarbamoyl)-methyl]-(3R)-2-oxo-5-phenyl-2,3-dihydro-1Hbenzo[e][1,4]diazepin-3-ylmethyl ester | CHEMBL453738
Type:
Small organic molecule
Emp. Form.:
C40H37ClF3N5O5
Mol. Mass.:
760.2
SMILES:
CN(C)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:29|
Structure:
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