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Target
Cruzipain
Ligand
BDBM50546136
Substrate
n/a
Meas. Tech.
ChEMBL_2014410 (CHEMBL4667988)
IC50
145000±n/a nM
Citation
 Pereira, GAN; da Silva, EB; Braga, SFP; Leite, PG; Martins, LC; Vieira, RP; Soh, WT; Villela, FS; Costa, FMR; Ray, D; de Andrade, SF; Brandstetter, H; Oliveira, RB; Caffrey, CR; Machado, FS; Ferreira, RS Discovery and characterization of trypanocidal cysteine protease inhibitors from the 'malaria box'. Eur J Med Chem 179:765-778 (2019) [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:
BDBM50546136
Synonyms:
CHEMBL531738
Type:
Small organic molecule
Emp. Form.:
C21H22ClN5O
Mol. Mass.:
395.885
SMILES:
Cn1c2ccc(CNCCNc3ccnc4cc(Cl)ccc34)cc2n(C)c1=O
Structure:
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