Reaction Details  Report a problem with these data
Target
Cruzipain
Ligand
BDBM50058806
Substrate
n/a
Meas. Tech.
ChEMBL_1451533 (CHEMBL3365054)
IC50
40±n/a nM
Citation
 Cardoso, MV; de Siqueira, LR; da Silva, EB; Costa, LB; Hernandes, MZ; Rabello, MM; Ferreira, RS; da Cruz, LF; Moreira, DR; Pereira, VR; de Castro, MC; Bernhardt, PV; Leite, AC 2-Pyridyl thiazoles as novel anti-Trypanosoma cruzi agents: structural design, synthesis and pharmacological evaluation. Eur J Med Chem 86:48-59 (2014) [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:
BDBM50058806
Synonyms:
CHEMBL3329519
Type:
Small organic molecule
Emp. Form.:
C17H16N4OS
Mol. Mass.:
324.4
SMILES:
COc1ccc(cc1)-c1csc(N\N=C(/C)c2ccccn2)n1
Structure:
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