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Reaction Details
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TargetCruzipain
LigandBDBM50303394
Substrate/Competitorn/a
Meas. Tech.ChEMBL_595793 (CHEMBL1048800)
IC50 30000±n/a nM
Citation Jadhav, AFerreira, RSKlumpp, CMott, BTAustin, CPInglese, JThomas, CJMaloney, DJShoichet, BKSimeonov, A Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease. J Med Chem53:37-51 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cruzipain
Name:Cruzipain
Synonyms:CYSP_TRYCR | 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:
BDBM50303394
n/a
NameBDBM50303394
Synonyms:2-(5-phenyl-1,3,4-oxadiazol-2-ylthio)-1-(4-phenylpiperazin-1-yl)ethanone | CHEMBL566706
TypeSmall organic molecule
Emp. Form.C20H20N4O2S
Mol. Mass.380.463
SMILESO=C(CSc1nnc(o1)-c1ccccc1)N1CCN(CC1)c1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: