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Target
Cruzipain
Ligand
BDBM50295137
Substrate
n/a
Meas. Tech.
ChEMBL_572966 (CHEMBL1061354)
IC50
10000±n/a nM
Citation
 Ferreira, RS; Bryant, C; Ang, KK; McKerrow, JH; Shoichet, BK; Renslo, AR Divergent modes of enzyme inhibition in a homologous structure-activity series. J Med Chem 52:5005-8 (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:
BDBM50295137
Synonyms:
5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic acid 3-fluoro-4-trifluoromethylbenzylamide | CHEMBL549676
Type:
Small organic molecule
Emp. Form.:
C17H12F4N4O2
Mol. Mass.:
380.2964
SMILES:
Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccc(c(F)c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: