Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50183757
Substrate
n/a
Meas. Tech.
ChEMBL_1801046 (CHEMBL4273338)
Ki
790±n/a nM
Citation
 Fey, P; Chartomatsidou, R; Kiefer, W; Mottram, JC; Kersten, C; Schirmeister, T New aziridine-based inhibitors of cathepsin L-like cysteine proteases with selectivity for the Leishmania cysteine protease LmCPB2.8. Eur J Med Chem 156:587-597 (2018) [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:
BDBM50183757
Synonyms:
(2S,3S)-dibenzyl 1-((S)-1-((R)-2-(tert-butoxycarbonyl)-4-methylpentanoyl)pyrrolidine-5-carbonyl)aziridine-2,3-dicarboxylate | CHEMBL382388
Type:
Small organic molecule
Emp. Form.:
C34H43N3O8
Mol. Mass.:
621.7205
SMILES:
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Structure:
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