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Target
Cruzipain
Ligand
BDBM50157211
Substrate
n/a
Meas. Tech.
ChEMBL_305484 (CHEMBL830275)
IC50
40±n/a nM
Citation
 Fujii, N; Mallari, JP; Hansell, EJ; Mackey, Z; Doyle, P; Zhou, YM; Gut, J; Rosenthal, PJ; McKerrow, JH; Guy, RK Discovery of potent thiosemicarbazone inhibitors of rhodesain and cruzain. Bioorg Med Chem Lett 15:121-3 (2004) [PubMed]  Article 
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:
BDBM50157211
Synonyms:
(E)-(3,4-dichlorophenyl)(4-methylphenyl)methanone thiosemicarbazone | CHEMBL182795
Type:
Small organic molecule
Emp. Form.:
C15H13Cl2N3S
Mol. Mass.:
338.255
SMILES:
Cc1ccc(cc1)C(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:8.9|
Structure:
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