Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCruzipain
LigandBDBM50322737
Substrate/Competitorn/a
Meas. Tech.ChEMBL_642347
Ki 70±n/a nM
Citation Ferreira RSSimeonov AJadhav AEidam OMott BTKeiser MJMcKerrow JHMaloney DJIrwin JJShoichet BK Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J Med Chem 53:4891-905 (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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50322737
n/a
NameBDBM50322737
Synonyms:2-(2-chloro-5-(trifluoromethyl)phenylamino)-2-oxo-1-phenylethyl 2-benzamidoacetate | CHEMBL1173672
TypeSmall organic molecule
Emp. Form.C24H18ClF3N2O4
Mol. Mass.490.859
SMILESFC(F)(F)c1ccc(Cl)c(NC(=O)C(OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: