Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50148058
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:
BDBM50148058
Synonyms:
CHEMBL326220 | N'-[(1E)-1-(3-bromophenyl)ethylidene]-4-methylpiperazine-1-carbothiohydrazide
Type:
Small organic molecule
Emp. Form.:
C14H19BrN4S
Mol. Mass.:
355.296
SMILES:
CN1CCN(CC1)C(=S)NN=C(C)c1cccc(Br)c1 |w:10.10|
Structure:
Search PDB for entries with ligand similarity: