Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50114653
Substrate
n/a
Meas. Tech.
ChEMBL_683902 (CHEMBL1285900)
IC50
100±n/a nM
Citation
 Hernandes, MZ; Rabello, MM; Leite, AC; Cardoso, MV; Moreira, DR; Brondani, DJ; Simone, CA; Reis, LC; Souza, MA; Pereira, VR; Ferreira, RS; McKerrow, JH Studies toward the structural optimization of novel thiazolylhydrazone-based potent antitrypanosomal agents. Bioorg Med Chem 18:7826-35 (2010) [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:
BDBM50114653
Synonyms:
(1E)-1-(3,4-dichlorophenyl)ethan-1-one thiosemicarbazone | CHEMBL90512
Type:
Small organic molecule
Emp. Form.:
C9H9Cl2N3S
Mol. Mass.:
262.159
SMILES:
CC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:2.2|
Structure:
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