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TargetCathepsin (B and K)
LigandBDBM50107633
Substrate/Competitorn/a
Meas. Tech.ChEMBL_47411
IC50 1.8±n/a nM
Citation Greenspan PDClark KLTommasi RACowen SDMcQuire LWFarley DLvan Duzer JHGoldberg RLZhou HDu ZFitt JJCoppa DEFang ZMacchia WZhu LCapparelli MPGoldstein RWigg AMDoughty JRBohacek RSKnap AK Identification of dipeptidyl nitriles as potent and selective inhibitors of cathepsin B through structure-based drug design. J Med Chem 44:4524-34 (2001) [PubMed]
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:
BDBM50107633
n/a
NameBDBM50107633
Synonyms:3-[2-Cyano-2-(2-diphenylacetylamino-3-m-tolyl-propionylamino)-ethoxymethyl]-benzoic acid | CHEMBL336228
TypeSmall organic molecule
Emp. Form.C35H33N3O5
Mol. Mass.575.6536
SMILESCc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
Structure
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