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Target
Cruzipain
Ligand
BDBM50322742
Substrate
n/a
Meas. Tech.
ChEMBL_642347 (CHEMBL1177373)
Ki
2000±n/a nM
Citation
 Ferreira, RS; Simeonov, A; Jadhav, A; Eidam, O; Mott, BT; Keiser, MJ; McKerrow, JH; Maloney, DJ; Irwin, JJ; Shoichet, BK Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J Med Chem 53:4891-905 (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:
BDBM50322742
Synonyms:
CHEMBL1173694 | N-(2-(1H-benzo[d]imidazol-2-yl)ethyl)-2-(2-bromophenoxy)acetamide | N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide
Type:
Small organic molecule
Emp. Form.:
C17H16BrN3O2
Mol. Mass.:
374.232
SMILES:
Brc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1
Structure:
Search PDB for entries with ligand similarity: