Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50451628
Substrate
n/a
Meas. Tech.
ChEMBL_1745981 (CHEMBL4180491)
Ki
25119±n/a nM
Citation
 Silva, DG; Ribeiro, JFR; De Vita, D; Cianni, L; Franco, CH; Freitas-Junior, LH; Moraes, CB; Rocha, JR; Burtoloso, ACB; Kenny, PW; Leitão, A; Montanari, CA A comparative study of warheads for design of cysteine protease inhibitors. Bioorg Med Chem Lett 27:5031-5035 (2017) [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:
BDBM50451628
Synonyms:
CHEMBL4209401
Type:
Small organic molecule
Emp. Form.:
C21H21N3O4
Mol. Mass.:
379.4091
SMILES:
Cc1coc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)n1 |r|
Structure:
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