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Target
Cruzipain
Ligand
BDBM50189273
Substrate
n/a
Meas. Tech.
ChEMBL_381155 (CHEMBL867357)
IC50
17±n/a nM
Citation
 Siles, R; Chen, SE; Zhou, M; Pinney, KG; Trawick, ML Design, synthesis, and biochemical evaluation of novel cruzain inhibitors with potential application in the treatment of Chagas' disease. Bioorg Med Chem Lett 16:4405-9 (2006) [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:
BDBM50189273
Synonyms:
1-(7-bromo-3,4-dihydronaphthalen-1(2H)-ylidene)thiosemicarbazide | CHEMBL215980
Type:
Small organic molecule
Emp. Form.:
C11H12BrN3S
Mol. Mass.:
298.202
SMILES:
NC(=S)NN=C1CCCc2ccc(Br)cc12 |w:4.3|
Structure:
Search PDB for entries with ligand similarity: