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Target
Cathepsin B
Ligand
BDBM50331787
Substrate
n/a
Meas. Tech.
ChEMBL_1822482 (CHEMBL4322246)
IC50
9.0±n/a nM
Citation
 Cianni, L; Feldmann, CW; Gilberg, E; Gütschow, M; Juliano, L; Leitão, A; Bajorath, J; Montanari, CA Can Cysteine Protease Cross-Class Inhibitors Achieve Selectivity? J Med Chem 62:10497-10525 (2019) [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:
BDBM50331787
Synonyms:
(S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl)-4-fluoro-4-methyl-2-((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)biphenyl-4-yl)ethylamino)pentanamide | CHEMBL1288523
Type:
Small organic molecule
Emp. Form.:
C31H29F5N4O3S
Mol. Mass.:
632.644
SMILES:
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r|
Structure:
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