Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50148062
Substrate
n/a
Meas. Tech.
ChEMBL_51851 (CHEMBL664074)
IC50
>20000±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:
BDBM50148062
Synonyms:
(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinecarbodithioic acid | CHEMBL108077
Type:
Small organic molecule
Emp. Form.:
C10H11BrN2S2
Mol. Mass.:
303.242
SMILES:
CSC(=S)NN=C(C)c1cccc(Br)c1 |w:5.4|
Structure:
Search PDB for entries with ligand similarity: