Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50108856
Substrate
n/a
Meas. Tech.
ChEMBL_47434 (CHEMBL661175)
Ki
45.4±n/a nM
Citation
 Huang, L; Lee, A; Ellman, JA Identification of potent and selective mechanism-based inhibitors of the cysteine protease cruzain using solid-phase parallel synthesis. J Med Chem 45:676-84 (2002) [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:
BDBM50108856
Synonyms:
CHEMBL103238 | benzyl (S)-1-oxo-1-((S)-3-oxo-1-phenyl-4-(3-phenylpropylthio)butan-2-ylamino)-3-phenylpropan-2-ylcarbamate | {(S)-1-[(S)-1-Benzyl-2-oxo-3-(3-phenyl-propylsulfanyl)-propylcarbamoyl]-2-phenyl-ethyl}-carbamic acid benzyl ester | {1-[1-Benzyl-2-oxo-3-(3-phenyl-propylsulfanyl)-propylcarbamoyl]-2-phenyl-ethyl}-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C36H38N2O4S
Mol. Mass.:
594.763
SMILES:
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: