Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50058809
Substrate
n/a
Meas. Tech.
ChEMBL_1451533 (CHEMBL3365054)
IC50
10.0±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:
BDBM50058809
Synonyms:
CHEMBL3329524
Type:
Small organic molecule
Emp. Form.:
C20H16N4S
Mol. Mass.:
344.433
SMILES:
C\C(=N/Nc1nc(cs1)-c1ccc2ccccc2c1)c1ccccn1
Structure:
Search PDB for entries with ligand similarity: