Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50295103
Substrate
n/a
Meas. Tech.
ChEMBL_572972 (CHEMBL1062131)
IC50
800±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:
BDBM50295103
Synonyms:
5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic acid(5-phenyl-2H-pyrazol-3-yl)-amide | CHEMBL550751
Type:
Small organic molecule
Emp. Form.:
C18H14N6O2
Mol. Mass.:
346.3428
SMILES:
Nc1ccccc1-c1nnc(o1)C(=O)Nc1cc(n[nH]1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: