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Target
Cruzipain
Ligand
BDBM50322735
Substrate
n/a
Meas. Tech.
ChEMBL_642348 (CHEMBL1177374)
IC50
700±n/a nM
Citation
 Ferreira, RS; Simeonov, A; Jadhav, A; Eidam, O; Mott, BT; Keiser, MJ; McKerrow, JH; Maloney, DJ; Irwin, JJ; Shoichet, BK Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J Med Chem 53:4891-905 (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:
BDBM50322735
Synonyms:
2-(naphthalen-2-yl)-2-oxoethyl 2-(2-(o-tolyloxy)acetamido)acetate | CHEMBL1172971
Type:
Small organic molecule
Emp. Form.:
C23H21NO5
Mol. Mass.:
391.4165
SMILES:
Cc1ccccc1OCC(=O)NCC(=O)OCC(=O)c1ccc2ccccc2c1
Structure:
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