Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCruzipain
LigandBDBM50114613
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2224926 (CHEMBL5138439)
IC50 40±n/a nM
Citation Beltran-Hortelano, IAlcolea, VFont, MPérez-Silanes, S Examination of multiple Trypanosoma cruzi targets in a new drug discovery approach for Chagas disease. Bioorg Med Chem58:0 (2022) [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:
BDBM50114613
n/a
NameBDBM50114613
Synonyms:(1E)-1-(3-bromophenyl)propan-1-one thiosemicarbazone | CHEMBL313679
TypeSmall organic molecule
Emp. Form.C10H12BrN3S
Mol. Mass.286.191
SMILESCCC(=NNC(N)=S)c1cccc(Br)c1 |w:3.3|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: