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Target
Cruzipain
Ligand
BDBM50114613
Substrate
n/a
Meas. Tech.
ChEMBL_2224926 (CHEMBL5138439)
IC50
40±n/a nM
Citation
 Beltran-Hortelano, I; Alcolea, V; Font, M; Pérez-Silanes, S Examination of multiple Trypanosoma cruzi targets in a new drug discovery approach for Chagas disease. Bioorg Med Chem 58:0 (2022) [PubMed] 
Target
Name:
Cruzipain
Synonyms:
CYSP_TRYCR | Cruzain | Cruzaine | Major cysteine proteinase
Type:
Protein
Mol. Mass.:
49831.41
Organism:
Trypanosoma cruzi
Description:
P25779
Residue:
467
Sequence:
MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLSVFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEVVGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDKTDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVELPQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYWIIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSYFVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVRSSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL
  
Inhibitor
Name:
BDBM50114613
Synonyms:
(1E)-1-(3-bromophenyl)propan-1-one thiosemicarbazone | CHEMBL313679
Type:
Small organic molecule
Emp. Form.:
C10H12BrN3S
Mol. Mass.:
286.191
SMILES:
CCC(=NNC(N)=S)c1cccc(Br)c1 |w:3.3|
Structure:
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