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TargetCathepsin B
LigandBDBM50331553
Substrate/Competitorn/a
Meas. Tech.ChEMBL_687418 (CHEMBL1292094)
IC50>10000±n/a nM
Citation Cai, JRobinson, JBelshaw, SEverett, KFradera, Xvan Zeeland, Mvan Berkom, Lvan Rijnsbergen, PPopplestone, LBaugh, MDempster, MBruin, JHamilton, WKinghorn, EWestwood, PKerr, JRankovic, ZArbuckle, WBennett, DJJones, PSLong, CMartin, IUitdehaag, JCMeulemans, T Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors. Bioorg Med Chem Lett20:6890-4 (2010) [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:
BDBM50331553
n/a
NameBDBM50331553
Synonyms:2-chloro-N-(4-(methylamino)-3,4-dioxobutan-2-yl)-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide | CHEMBL1289856
TypeSmall organic molecule
Emp. Form.C19H17ClF3N3O4
Mol. Mass.443.804
SMILESCNC(=O)C(=O)C(C)NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F
Structure
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