Target
Cruzipain
Ligand
BDBM50303378
Substrate
n/a
Meas. Tech.
ChEMBL_595793 (CHEMBL1048800)
IC50
12000±n/a nM
Citation
 Jadhav, AFerreira, RSKlumpp, CMott, BTAustin, CPInglese, JThomas, CJMaloney, DJShoichet, BKSimeonov, A Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease. J Med Chem 53:37-51 (2010) [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:
BDBM50303378
Synonyms:
4-bromo-N'-(3-((4-chloro-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)benzohydrazide | CHEMBL579075
Type:
Small organic molecule
Emp. Form.:
C19H16BrClN4O2
Mol. Mass.:
447.713
SMILES:
COc1ccc(\C=N\NC(=O)c2ccc(Br)cc2)cc1Cn1cc(Cl)cn1
Structure:
Search PDB for entries with ligand similarity: