Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCruzipain
LigandBDBM50003067
Substrate/Competitorn/a
Meas. Tech.ChEMBL_466898 (CHEMBL935786)
IC50<600000±n/a nM
Citation Babaoglu, KSimeonov, AIrwin, JJNelson, MEFeng, BThomas, CJCancian, LCosti, MPMaltby, DAJadhav, AInglese, JAustin, CPShoichet, BK Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J Med Chem51:2502-11 (2008) [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:
BDBM50003067
n/a
NameBDBM50003067
Synonyms:CHEMBL261122
TypeSmall organic molecule
Emp. Form.C14H12O5
Mol. Mass.260.2421
SMILESCCOC(=O)C(\C(C)=O)=C1/OC(=O)c2ccccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: