Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50108857
Substrate
n/a
Meas. Tech.
ChEMBL_51847 (CHEMBL664070)
Ki
1.3±n/a nM
Citation
 Huang, L; Lee, A; Ellman, JA Identification of potent and selective mechanism-based inhibitors of the cysteine protease cruzain using solid-phase parallel synthesis. J Med Chem 45:676-84 (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:
BDBM50108857
Synonyms:
CHEMBL160000 | [1-(1-Benzyl-3-tert-butylsulfanyl-2-oxo-propylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester | benzyl (S)-1-((S)-4-(tert-butylthio)-3-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate
Type:
Small organic molecule
Emp. Form.:
C28H38N2O4S
Mol. Mass.:
498.677
SMILES:
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C
Structure:
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