Reaction Details |
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Target | Cruzipain |
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Ligand | BDBM50229129 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_458776 (CHEMBL942076) |
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IC50 | 5±n/a nM |
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Citation | González, FV; Izquierdo, J; Rodríguez, S; McKerrow, JH; Hansell, E Dipeptidyl-alpha,beta-epoxyesters as potent irreversible inhibitors of the cysteine proteases cruzain and rhodesain. Bioorg Med Chem Lett17:6697-700 (2007) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cruzipain |
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Name: | Cruzipain |
Synonyms: | CYSP_TRYCR | Cruzain | Cruzaine | Major cysteine proteinase |
Type: | Protein |
Mol. Mass.: | 49831.41 |
Organism: | Trypanosoma cruzi |
Description: | P25779 |
Residue: | 467 |
Sequence: | MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLS
VFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEV
VGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDK
TDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVEL
PQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYW
IIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSY
FVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVR
SSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL
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BDBM50229129 |
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n/a |
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Name | BDBM50229129 |
Synonyms: | 4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-(S)-3-benzenesulfonyl-1-phenethyl-allylcarbamoyl)-2-phenyl-ethyl]-amide | 4-[(S)-1-((E)-(S)-3-benzenesulfonyl-1-phenethyl-allylcarbamoyl)-2-phenyl-ethylcarbamoyl]-1-methyl-piperazin-1-ium | 4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)propan-2-yl)piperazine-1-carboxamide | 4-methyl-N-((S)-1-oxo-3-phenyl-1-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)propan-2-yl)piperazine-1-carboxamide | CHEMBL91704 | K-777 |
Type | Small organic molecule |
Emp. Form. | C32H38N4O4S |
Mol. Mass. | 574.734 |
SMILES | CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34| |
Structure |
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