Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM31765
Substrate
n/a
Meas. Tech.
ChEMBL_595793 (CHEMBL1048800)
IC50
30000±n/a nM
Citation
 Jadhav, A; Ferreira, RS; Klumpp, C; Mott, BT; Austin, CP; Inglese, J; Thomas, CJ; Maloney, DJ; Shoichet, BK; Simeonov, A Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease. J Med Chem 53:37-51 (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:
BDBM31765
Synonyms:
MLS-0024020.0001 | N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-yl-ethanamide | N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylacetamide | N-(5-methyl-3-isoxazolyl)-2-thiophen-2-ylacetamide | N-(5-methylisoxazol-3-yl)-2-(2-thienyl)acetamide | cid_717599
Type:
Small organic molecule
Emp. Form.:
C10H10N2O2S
Mol. Mass.:
222.264
SMILES:
Cc1cc(NC(=O)Cc2cccs2)no1
Structure:
Search PDB for entries with ligand similarity: