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Target
Cathepsin B
Ligand
BDBM50221798
Substrate
n/a
Meas. Tech.
ChEMBL_457702 (CHEMBL925025)
Ki
2200±n/a nM
Citation
 Bäck, M; Johansson, PO; Wångsell, F; Thorstensson, F; Kvarnström, I; Ayesa, S; Wähling, H; Pelcman, M; Jansson, K; Lindström, S; Wallberg, H; Classon, B; Rydergård, C; Vrang, L; Hamelink, E; Hallberg, A; Rosenquist, S; Samuelsson, B Novel potent macrocyclic inhibitors of the hepatitis C virus NS3 protease: use of cyclopentane and cyclopentene P2-motifs. Bioorg Med Chem 15:7184-202 (2007) [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:
BDBM50221798
Synonyms:
CHEMBL395154 | cyclopropanesulfonic acid [(Z)-(1R,4R,6S,15R,17R)-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-13-methyl-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl]-amide
Type:
Small organic molecule
Emp. Form.:
C37H42N4O7S
Mol. Mass.:
686.817
SMILES:
COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C\[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1)-c1ccccc1 |t:22|
Structure:
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