Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50114665
Substrate
n/a
Meas. Tech.
ChEMBL_48534 (CHEMBL660279)
IC50
1300±n/a nM
Citation
 Du, X; Guo, C; Hansell, E; Doyle, PS; Caffrey, CR; Holler, TP; McKerrow, JH; Cohen, FE Synthesis and structure-activity relationship study of potent trypanocidal thio semicarbazone inhibitors of the trypanosomal cysteine protease cruzain. J Med Chem 45:2695-707 (2002) [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:
BDBM50114665
Synonyms:
2-(trifluoromethyl)benzaldehyde thiosemicarbazone | CHEMBL91844
Type:
Small organic molecule
Emp. Form.:
C8H8BrN3S
Mol. Mass.:
258.138
SMILES:
NC(=S)NN=Cc1cccc(Br)c1 |w:5.5|
Structure:
Search PDB for entries with ligand similarity: