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Target
Cruzipain
Ligand
BDBM20119
Substrate
n/a
Meas. Tech.
ChEMBL_2284571
Ki
501±n/a nM
Citation
 Rocha, DA; Silva, EB; Fortes, IS; Lopes, MS; Ferreira, RS; Andrade, SF Synthesis and structure-activity relationship studies of cruzain and rhodesain inhibitors. Eur J Med Chem 157:1426-1459 (2018) [PubMed] 
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:
BDBM20119
Synonyms:
(2S)-N-(cyanomethyl)-3-phenyl-2-(phenylformamido)propanamide | phenylalanine derivative, 43
Type:
Small organic molecule
Emp. Form.:
C18H17N3O2
Mol. Mass.:
307.3465
SMILES:
O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Structure:
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