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Target
Cruzipain
Ligand
BDBM50148061
Substrate
n/a
Meas. Tech.
ChEMBL_51851 (CHEMBL664074)
IC50
5000±n/a nM
Citation
 Greenbaum, DC; Mackey, Z; Hansell, E; Doyle, P; Gut, J; Caffrey, CR; Lehrman, J; Rosenthal, PJ; McKerrow, JH; Chibale, K Synthesis and structure-activity relationships of parasiticidal thiosemicarbazone cysteine protease inhibitors against Plasmodium falciparum, Trypanosoma brucei, and Trypanosoma cruzi. J Med Chem 47:3212-9 (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:
BDBM50148061
Synonyms:
(1Z)-1-{3-[(1E)-N-(aminocarbonothioyl)ethanehydrazonoyl]phenyl}ethan-1-one thiosemicarbazone | CHEMBL108101
Type:
Small organic molecule
Emp. Form.:
C12H16N6S2
Mol. Mass.:
308.426
SMILES:
CC(=NNC(N)=S)c1cccc(c1)C(C)=NNC(N)=S |w:2.2,15.16|
Structure:
Search PDB for entries with ligand similarity: