Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM476972
Substrate
n/a
Meas. Tech.
SARS-CoV-2 Protease FRET Assay
IC50
201±5.00 nM
Citation
 Bai, B; Belovodskiy, A; Hena, M; Kandadai, AS; Joyce, MA; Saffran, HA; Shields, JA; Khan, MB; Arutyunova, E; Lu, J; Bajwa, SK; Hockman, D; Fischer, C; Lamer, T; Vuong, W; van Belkum, MJ; Gu, Z; Lin, F; Du, Y; Xu, J; Rahim, M; Young, HS; Vederas, JC; Tyrrell, DL; Lemieux, MJ; Nieman, JA Peptidomimetic ?-Acyloxymethylketone Warheads with Six-Membered Lactam P1 Glutamine Mimic: SARS-CoV-2 3CL Protease Inhibition, Coronavirus Antiviral Activity, and  J Med Chem 0:0 (2021) [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:
BDBM476972
Synonyms:
SARS-CoV-2 3CLP and CoV inhibitor 15l
Type:
Small organic molecule
Emp. Form.:
C34H43N5O7
Mol. Mass.:
633.7345
SMILES:
COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)c1c(C)cc(C)nc1C
Structure:
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