Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCruzipain
LigandBDBM50303397
Substrate/Competitorn/a
Meas. Tech.ChEMBL_595792 (CHEMBL1048799)
IC50>60000±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:
BDBM50303397
n/a
NameBDBM50303397
Synonyms:CHEMBL567735 | methyl 4-(3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl)benzoate
TypeSmall organic molecule
Emp. Form.C14H9BrN2O4
Mol. Mass.349.136
SMILESCOC(=O)c1ccc(cc1)-c1nc(no1)-c1ccc(Br)o1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: