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Target
Cruzipain
Ligand
BDBM50331767
Substrate
n/a
Meas. Tech.
ChEMBL_686696 (CHEMBL1290876)
IC50
0.2±n/a nM
Citation
 Beaulieu, C; Isabel, E; Fortier, A; Massé, F; Mellon, C; Méthot, N; Ndao, M; Nicoll-Griffith, D; Lee, D; Park, H; Black, WC Identification of potent and reversible cruzipain inhibitors for the treatment of Chagas disease. Bioorg Med Chem Lett 20:7444-9 (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:
BDBM50331767
Synonyms:
1-(4'-((S)-1-((S)-1-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethylamino)-3-methyl-1-oxobutan-2-ylamino)-2,2,2-trifluoroethyl)biphenyl-4-yl)cyclopropanecarboxamide | CHEMBL1288531
Type:
Small organic molecule
Emp. Form.:
C33H31F4N5O2
Mol. Mass.:
605.6252
SMILES:
CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r|
Structure:
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