Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50119312
Substrate
n/a
Meas. Tech.
ChEMBL_158952 (CHEMBL767337)
Ki
16.3±n/a nM
Citation
 Huang, L; Ellman, JA General solid-phase method to prepare novel cyclic ketone inhibitors of the cysteine protease cruzain. Bioorg Med Chem Lett 12:2993-6 (2002) [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:
BDBM50119312
Synonyms:
CHEMBL316864 | {(S)-1-[2,5-Dioxo-1-(3-phenyl-propyl)-piperidin-4-ylcarbamoyl]-2-phenyl-ethyl}-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C31H33N3O5
Mol. Mass.:
527.6108
SMILES:
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(CCCc2ccccc2)CC1=O)OCc1ccccc1
Structure:
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