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Target
Cruzipain
Ligand
BDBM50295129
Substrate
n/a
Meas. Tech.
ChEMBL_572966 (CHEMBL1061354)
IC50
200±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:
BDBM50295129
Synonyms:
5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic acid[5-(4-methoxy-phenyl)-1Hpyrazol-3-yl]-amide | CHEMBL556465
Type:
Small organic molecule
Emp. Form.:
C19H16N6O3
Mol. Mass.:
376.3687
SMILES:
COc1ccc(cc1)-c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1
Structure:
Search PDB for entries with ligand similarity: