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TargetCathepsin B
LigandBDBM19828
Substrate/Competitorn/a
Meas. Tech.ChEMBL_821154 (CHEMBL2039696)
IC50 102000±n/a nM
Citation Stumpfe, DBajorath, J Exploring activity cliffs in medicinal chemistry. J Med Chem55:2932-42 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cathepsin B
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:
MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCG
TFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDR
ICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCR
PYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIM
AEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSW
NTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM19828
n/a
NameBDBM19828
Synonyms:(1R,2R)-2-{[(3-chlorophenyl)sulfanyl]methyl}-N-(cyanomethyl)cyclohexane-1-carboxamide | Cyclohexanecarboxamide derivative, 12l | racemic mixture
TypeSmall organic molecule
Emp. Form.C16H19ClN2OS
Mol. Mass.322.853
SMILESClc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|
Structure
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