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Target
Cruzipain
Ligand
BDBM50229132
Substrate
n/a
Meas. Tech.
ChEMBL_461748 (CHEMBL928879)
Ki
92±n/a nM
Citation
 Jaishankar, P; Hansell, E; Zhao, DM; Doyle, PS; McKerrow, JH; Renslo, AR Potency and selectivity of P2/P3-modified inhibitors of cysteine proteases from trypanosomes. Bioorg Med Chem Lett 18:624-8 (2008) [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:
BDBM50229132
Synonyms:
CHEMBL254066 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)-3-m-tolylpropan-2-yl)-4-(trifluoromethyl)benzamide
Type:
Small organic molecule
Emp. Form.:
C35H33F3N2O4S
Mol. Mass.:
634.708
SMILES:
Cc1cccc(C[C@H](NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1
Structure:
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