Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50514675
Substrate
n/a
Meas. Tech.
ChEMBL_1858190 (CHEMBL4358919)
Ki
3.6±n/a nM
Citation
 Chenna, BC; Li, L; Mellott, DM; Zhai, X; Siqueira-Neto, JL; Calvet Alvarez, C; Bernatchez, JA; Desormeaux, E; Alvarez Hernandez, E; Gomez, J; McKerrow, JH; Cruz-Reyes, J; Meek, TD Peptidomimetic Vinyl Heterocyclic Inhibitors of Cruzain Effect Antitrypanosomal Activity. J Med Chem 63:3298-3316 (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:
BDBM50514675
Synonyms:
CHEMBL4472987
Type:
Small organic molecule
Emp. Form.:
C33H32N2O5S
Mol. Mass.:
568.683
SMILES:
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)OCc1ccccc1 |r|
Structure:
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