Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50295115
Substrate
n/a
Meas. Tech.
ChEMBL_572969 (CHEMBL1062128)
IC50
4000±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:
BDBM50295115
Synonyms:
5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic acid[5-(4-chloro-phenyl)-[1,3,4]thiadiazol-2-yl]-amide | CHEMBL563023
Type:
Small organic molecule
Emp. Form.:
C17H11ClN6O2S
Mol. Mass.:
398.826
SMILES:
Nc1ccccc1-c1nnc(o1)C(=O)Nc1nnc(s1)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: