Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin (B and K)
LigandBDBM50371564
Substrate/Competitorn/a
Meas. Tech.ChEMBL_463777
Ki 4400±n/a nM
Citation Ettari RNizi EDi Francesco MEDude MAPradel GVicík RSchirmeister TMicale NGrasso SZappalà M Development of peptidomimetics with a vinyl sulfone warhead as irreversible falcipain-2 inhibitors. J Med Chem 51:988-96 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cathepsin (B and K)
Name:Cathepsin (B and K)
Synonyms:APP secretase | APPS | Cathepsin B | 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:
MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCG
TFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDR
ICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCR
PYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIM
AEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSW
NTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50371564
n/a
NameBDBM50371564
Synonyms:CHEMBL403991
TypeSmall organic molecule
Emp. Form.C39H36ClF3N4O6S
Mol. Mass.781.24
SMILESCCS(=O)(=O)C=C[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |w:5.4,c:29|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: