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TargetCruzipain
LigandBDBM50306596
Substrate/Competitorn/a
Meas. Tech.ChEMBL_611209
Ki 100±n/a nM
Citation Brak KKerr IDBarrett KTFuchi NDebnath MAng KEngel JCMcKerrow JHDoyle PSBrinen LSEllman JA Nonpeptidic tetrafluorophenoxymethyl ketone cruzain inhibitors as promising new leads for Chagas disease chemotherapy. J Med Chem 53:1763-73 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cruzipain
Name:Cruzipain
Synonyms:Cruzain | Cruzaine | Major cysteine proteinase
Type:Protein
Mol. Mass.:49831.41
Organism:Trypanosoma cruzi
Description:P25779
Residue:467
Sequence:
MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLS
VFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEV
VGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDK
TDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVEL
PQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYW
IIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSY
FVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVR
SSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL
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  Blast E-value cutoff:
BDBM50306596
n/a
NameBDBM50306596
Synonyms:3-(4-((S)-4-methyl-2-(quinolin-6-ylmethylamino)pentan-2-yl)-1H-1,2,3-triazol-1-yl)-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one | CHEMBL592404
TypeSmall organic molecule
Emp. Form.C31H35F4N5O2
Mol. Mass.585.6355
SMILESCCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(CC(C)C)NCc1ccc2ncccc2c1 |r|
Structure
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