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Target
Cruzipain
Ligand
BDBM50108852
Substrate
n/a
Meas. Tech.
ChEMBL_471525 (CHEMBL938460)
Ki
4.2±n/a nM
Citation
 Freitas, RF; Oprea, TI; Montanari, CA 2D QSAR and similarity studies on cruzain inhibitors aimed at improving selectivity over cathepsin L. Bioorg Med Chem 16:838-53 (2008) [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:
BDBM50108852
Synonyms:
CHEMBL100849 | [(S)-1-((S)-1-Benzyl-2-oxo-3-phenethylsulfanyl-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester | [1-(1-Benzyl-2-oxo-3-phenethylsulfanyl-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester | benzyl (S)-1-oxo-1-((S)-3-oxo-4-(phenethylthio)-1-phenylbutan-2-ylamino)-3-phenylpropan-2-ylcarbamate
Type:
Small organic molecule
Emp. Form.:
C35H36N2O4S
Mol. Mass.:
580.736
SMILES:
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCc1ccccc1)OCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: