Reaction Details Report a problem with these data
Target
Cathepsin B
Ligand
BDBM50591389
Substrate
n/a
Meas. Tech.
ChEMBL_2200237 (CHEMBL5112753)
IC50
>50000±n/a nM
Citation
 Hirose, Y; Shindo, N; Mori, M; Onitsuka, S; Isogai, H; Hamada, R; Hiramoto, T; Ochi, J; Takahashi, D; Ueda, T; Caaveiro, JMM; Yoshida, Y; Ohdo, S; Matsunaga, N; Toba, S; Sasaki, M; Orba, Y; Sawa, H; Sato, A; Kawanishi, E; Ojida, A Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease. J Med Chem 65:13852-13865 (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:
BDBM50591389
Synonyms:
CHEMBL5179778
Type:
Small organic molecule
Emp. Form.:
C22H26ClF2N5O4
Mol. Mass.:
497.93
SMILES:
CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl |r|
Structure:
Search PDB for entries with ligand similarity: