Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50386180
Substrate
n/a
Meas. Tech.
ChEMBL_823808 (CHEMBL2045410)
IC50
83900±n/a nM
Citation
 Carvalho, SA; Feitosa, LO; Soares, M; Costa, TE; Henriques, MG; Salomão, K; de Castro, SL; Kaiser, M; Brun, R; Wardell, JL; Wardell, SM; Trossini, GH; Andricopulo, AD; da Silva, EF; Fraga, CA Design and synthesis of new (E)-cinnamic N-acylhydrazones as potent antitrypanosomal agents. Eur J Med Chem 54:512-21 (2012) [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:
BDBM50386180
Synonyms:
CHEMBL2042792
Type:
Small organic molecule
Emp. Form.:
C18H17N3O6
Mol. Mass.:
371.3441
SMILES:
COc1cc(\C=C\C(=O)N\N=C\c2ccccc2O)cc(c1OC)[N+]([O-])=O
Structure:
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