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Target
Cruzipain
Ligand
BDBM50322738
Substrate
n/a
Meas. Tech.
ChEMBL_642348 (CHEMBL1177374)
IC50
18000±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:
BDBM50322738
Synonyms:
2-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl 2-benzamidoacetate | CHEMBL1173673
Type:
Small organic molecule
Emp. Form.:
C20H24N2O5
Mol. Mass.:
372.415
SMILES:
COCCn1c(C)cc(C(=O)COC(=O)CNC(=O)c2ccccc2)c1C
Structure:
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