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TargetCathepsin (B and K)
LigandBDBM50196753
Substrate/Competitorn/a
Meas. Tech.ChEMBL_440732
IC50 271±n/a nM
Citation Freskos, JNFobian, YMBenson, TEMoon, JBBienkowski, MJBrown, DLEmmons, TLHeintz, RLaborde, AMcDonald, JJMischke, BVMolyneaux, JMMullins, PBBryan Prince, DPaddock, DJTomasselli, AGWinterrowd, G Design of potent inhibitors of human beta-secretase. Part 2. Bioorg Med Chem Lett17:78-81 (2006) [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:
BDBM50196753
NameBDBM50196753
Synonyms:CHEMBL266565 | N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)-3-chlorobenzamide
TypeSmall organic molecule
Emp. Form.C36H46ClF2N3O5S
Mol. Mass.706.282
SMILESCCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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