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Target
Cathepsin B
Ligand
BDBM509972
Substrate
n/a
Meas. Tech.
FRET-based enzymatic assay
IC50
<0.50±n/a nM
Citation
 Ma, C; Xia, Z; Sacco, MD; Hu, Y; Townsend, JA; Meng, X; Choza, J; Tan, H; Jang, J; Gongora, MV; Zhang, X; Zhang, F; Xiang, Y; Marty, MT; Chen, Y; Wang, J Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity. J Am Chem Soc 143:20697-20709 (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:
BDBM509972
Synonyms:
Advanced SARS-CoV-2 Inhibitor 6e | acs.jmedchem.1c00409_ST.115
Type:
Small Organic Molecule
Emp. Form.:
C24H41N3O5
Mol. Mass.:
451.5994
SMILES:
CCCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |wU:22.22,24.24,wD:14.14,(-2.6,-5.27,;-1.26,-6.04,;.07,-5.27,;1.41,-6.04,;2.74,-5.27,;2.74,-3.73,;4.07,-2.96,;5.41,-3.73,;5.41,-5.27,;4.07,-6.04,;6.73,-2.93,;8.07,-3.67,;8.1,-5.21,;9.39,-2.88,;10.74,-3.62,;10.77,-5.16,;12.12,-5.91,;12.15,-7.45,;13.44,-5.11,;12.06,-2.83,;12.03,-1.29,;13.41,-3.57,;14.73,-2.78,;14.7,-1.24,;16.01,-.44,;17.41,-1.09,;18.46,.03,;17.72,1.38,;16.2,1.09,;15.08,2.14,;16.07,-3.52,;16.1,-5.06,)|
Structure:
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