Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCruzipain
LigandBDBM50233288
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1650523 (CHEMBL3999657)
IC50 28000±n/a nM
Citation Braga, SFMartins, LCda Silva, EBSales Júnior, PAMurta, SMRomanha, AJSoh, WTBrandstetter, HFerreira, RSde Oliveira, RB Synthesis and biological evaluation of potential inhibitors of the cysteine proteases cruzain and rhodesain designed by molecular simplification. Bioorg Med Chem25:1889-1900 (2017) [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:
BDBM50233288
n/a
NameBDBM50233288
Synonyms:CHEMBL460418
TypeSmall organic molecule
Emp. Form.C12H13ClN2O
Mol. Mass.236.697
SMILESOCCCNc1ccnc2cc(Cl)ccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: