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TargetCathepsin B
LigandBDBM50135541
Substrate/Competitorn/a
Meas. Tech.ChEBML_47612
IC50 4.1±n/a nM
Citation Greenspan, PDClark, KLCowen, SDMcQuire, LWTommasi, RAFarley, DLQuadros, ECoppa, DEDu, ZFang, ZZhou, HDoughty, JToscano, KTWigg, AMZhou, S N-arylaminonitriles as bioavailable peptidomimetic inhibitors of cathepsin B. Bioorg Med Chem Lett13:4121-4 (2003) [PubMed]
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:
BDBM50135541
n/a
NameBDBM50135541
Synonyms:5-{(R)-2-Cyano-2-[(S)-2-(3-oxo-1,3-dihydro-isobenzofuran-5-ylamino)-3-m-tolyl-propionylamino]-ethoxymethyl}-2-fluoro-benzoic acid | CHEMBL131688
TypeSmall organic molecule
Emp. Form.C29H26FN3O6
Mol. Mass.531.5316
SMILESCc1cccc(C[C@H](Nc2ccc3COC(=O)c3c2)C(=O)N[C@@H](COCc2ccc(F)c(c2)C(O)=O)C#N)c1
Structure
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