Reaction Details  Report a problem with these data
Target
Cruzipain
Ligand
BDBM20096
Substrate
n/a
Meas. Tech.
ChEMBL_2045565 (CHEMBL4700264)
Ki
501±n/a nM
Citation
 Bonatto, V; Batista, PHJ; Cianni, L; De Vita, D; Silva, DG; Cedron, R; Tezuka, DY; de Albuquerque, S; Moraes, CB; Franco, CH; Lameira, J; Leitão, A; Montanari, CA On the intrinsic reactivity of highly potent trypanocidal cruzain inhibitors. RSC Med Chem 11:1275-1284 (2020) [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:
BDBM20096
Synonyms:
CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate | dipeptide-derived nitrile, 17
Type:
Small organic molecule
Emp. Form.:
C19H19N3O3
Mol. Mass.:
337.3725
SMILES:
O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc1ccccc1 |r|
Structure:
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