Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50518231
Substrate
n/a
Meas. Tech.
ChEMBL_2123815 (CHEMBL4833048)
Ki
1400±n/a nM
Citation
 Barbosa da Silva, E; Rocha, DA; Fortes, IS; Yang, W; Monti, L; Siqueira-Neto, JL; Caffrey, CR; McKerrow, J; Andrade, SF; Ferreira, RS Structure-Based Optimization of Quinazolines as Cruzain and  J Med Chem 64:13054-13071 (2021) [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:
BDBM50518231
Synonyms:
CHEMBL597248 | GNF-Pf-4180 | MMV006169
Type:
Small organic molecule
Emp. Form.:
C21H18N4
Mol. Mass.:
326.3944
SMILES:
C(Nc1nc(Nc2ccccc2)nc2ccccc12)c1ccccc1
Structure:
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