Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50201259
Substrate
n/a
Meas. Tech.
ChEMBL_1623049 (CHEMBL3865401)
Ki
0.440000±n/a nM
Citation
 Latorre, A; Schirmeister, T; Kesselring, J; Jung, S; Johé, P; Hellmich, UA; Heilos, A; Engels, B; Krauth-Siegel, RL; Dirdjaja, N; Bou-Iserte, L; Rodríguez, S; González, FV Dipeptidyl Nitroalkenes as Potent Reversible Inhibitors of Cysteine Proteases Rhodesain and Cruzain. ACS Med Chem Lett 7:1073-1076 (2016) [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:
BDBM50201259
Synonyms:
CHEMBL3907022
Type:
Small organic molecule
Emp. Form.:
C21H23N3O5
Mol. Mass.:
397.4244
SMILES:
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r|
Structure:
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