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TargetCruzipain
LigandBDBM50322742
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1339563 (CHEMBL3243043)
IC50 800±n/a nM
Citation Ferreira, RSDessoy, MAPauli, ISouza, MLKrogh, RSales, AIOliva, GDias, LCAndricopulo, AD Synthesis, biological evaluation, and structure-activity relationships of potent noncovalent and nonpeptidic cruzain inhibitors as anti-Trypanosoma cruzi agents. J Med Chem57:2380-92 (2014) [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:
BDBM50322742
n/a
NameBDBM50322742
Synonyms:CHEMBL1173694 | N-(2-(1H-benzo[d]imidazol-2-yl)ethyl)-2-(2-bromophenoxy)acetamide | N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide
TypeSmall organic molecule
Emp. Form.C17H16BrN3O2
Mol. Mass.374.232
SMILESBrc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: