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TargetCruzipain
LigandBDBM50229118
Substrate/Competitorn/a
Meas. Tech.ChEMBL_461748
Ki 71±n/a nM
Citation Jaishankar PHansell EZhao DMDoyle PSMcKerrow JHRenslo AR Potency and selectivity of P2/P3-modified inhibitors of cysteine proteases from trypanosomes. Bioorg Med Chem Lett 18:624-8 (2008) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50229118
n/a
NameBDBM50229118
Synonyms:CHEMBL254903 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)-3-m-tolylpropan-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
TypeSmall organic molecule
Emp. Form.C36H36N2O6S
Mol. Mass.624.746
SMILESCc1cccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1
Structure
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