Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50602411
Substrate
n/a
Meas. Tech.
ChEMBL_2240406 (CHEMBL5154302)
IC50
8800±n/a nM
Citation
 Yu, W; Zhao, Y; Ye, H; Wu, N; Liao, Y; Chen, N; Li, Z; Wan, N; Hao, H; Yan, H; Xiao, Y; Lai, M Structure-Based Design of a Dual-Targeted Covalent Inhibitor Against Papain-like and Main Proteases of SARS-CoV-2. J Med Chem 65:16252-16267 (2022) [PubMed] 
Target
Name:
Cathepsin B
Synonyms:
APP secretase | APPS | Cathepsin B heavy chain | Cathepsin B light chain | Cathepsin B1 | CATB_HUMAN | CTSB | CPSB
Type:
Enzyme
Mol. Mass.:
37819.69
Organism:
Human
Description:
gi_63102437
Residue:
339
Sequence:
MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCGTFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDRICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCRPYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIMAEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSWNTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
  
Inhibitor
Name:
BDBM50602411
Synonyms:
CHEMBL5206685
Type:
Small organic molecule
Emp. Form.:
C20H19ClN4O3S
Mol. Mass.:
430.92
SMILES:
O=C1C=C(Nc2ccccc2N2CCNCC2)C2=NS(=O)(=O)c3cccc1c23
Structure:
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