Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50117285
Substrate
n/a
Meas. Tech.
ChEMBL_1514259 (CHEMBL3614916)
IC50
70±n/a nM
Citation
 Espíndola, JW; Cardoso, MV; Filho, GB; Oliveira E Silva, DA; Moreira, DR; Bastos, TM; Simone, CA; Soares, MB; Villela, FS; Ferreira, RS; Castro, MC; Pereira, VR; Murta, SM; Sales Junior, PA; Romanha, AJ; Leite, AC Synthesis and structure-activity relationship study of a new series of antiparasitic aryloxyl thiosemicarbazones inhibiting Trypanosoma cruzi cruzain. Eur J Med Chem 101:818-35 (2015) [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:
BDBM50117285
Synonyms:
CHEMBL3613583
Type:
Small organic molecule
Emp. Form.:
C15H12BrClFN3OS
Mol. Mass.:
416.696
SMILES:
NC(=S)N\N=C(/COc1ccc(F)c(Cl)c1)c1ccc(Br)cc1
Structure:
Search PDB for entries with ligand similarity: