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Target
Cathepsin B
Ligand
BDBM50081423
Substrate
n/a
Meas. Tech.
ChEMBL_1842109 (CHEMBL4342536)
Ki
1100000±n/a nM
Citation
 Schmitz, J; Gilberg, E; Löser, R; Bajorath, J; Bartz, U; Gütschow, M Cathepsin B: Active site mapping with peptidic substrates and inhibitors. Bioorg Med Chem 27:1-15 (2019) [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:
BDBM50081423
Synonyms:
2-{(R)-3-[(R)-3-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-2-oxo-cyclohexyl]-propionylamino}-3-phenyl-propionic acid | CHEMBL76087
Type:
Small organic molecule
Emp. Form.:
C35H39N3O7
Mol. Mass.:
613.7001
SMILES:
OC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O
Structure:
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