Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50295109
Substrate
n/a
Meas. Tech.
ChEMBL_572969 (CHEMBL1062128)
IC50
>2000±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:
BDBM50295109
Synonyms:
5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic acid(6,7,8,9-tetrahydrodibenzofuran-2-yl)-amide | CHEMBL551901
Type:
Small organic molecule
Emp. Form.:
C21H18N4O3
Mol. Mass.:
374.3926
SMILES:
Nc1ccccc1-c1nnc(o1)C(=O)Nc1ccc2oc3CCCCc3c2c1
Structure:
Search PDB for entries with ligand similarity: