Reaction Details  Report a problem with these data
Target
Cruzipain
Ligand
BDBM50463146
Substrate
n/a
Meas. Tech.
ChEMBL_1777780 (CHEMBL4234772)
IC50
300±n/a nM
Citation
 Royo, S; Schirmeister, T; Kaiser, M; Jung, S; Rodríguez, S; Bautista, JM; González, FV Antiprotozoal and cysteine proteases inhibitory activity of dipeptidyl enoates. Bioorg Med Chem 26:4624-4634 (2018) [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:
BDBM50463146
Synonyms:
CHEMBL4240920
Type:
Small organic molecule
Emp. Form.:
C25H28N2O6
Mol. Mass.:
452.4996
SMILES:
CCOC(=O)\C=C\C(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: