| Reaction Details |
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 | Report a problem with these data |
| Target | Cruzipain |
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| Ligand | BDBM50306592 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_611209 (CHEMBL1065731) |
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| Ki | 460±n/a nM |
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| Citation |  Brak, K; Kerr, ID; Barrett, KT; Fuchi, N; Debnath, M; Ang, K; Engel, JC; McKerrow, JH; Doyle, PS; Brinen, LS; Ellman, JA Nonpeptidic tetrafluorophenoxymethyl ketone cruzain inhibitors as promising new leads for Chagas disease chemotherapy. J Med Chem53:1763-73 (2010) [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 |
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| Synonyms: | CYSP_TRYCR | Cruzain | Cruzaine | Major cysteine proteinase |
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| Type: | Protein |
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| Mol. Mass.: | 49831.41 |
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| Organism: | Trypanosoma cruzi |
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| Description: | P25779 |
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| Residue: | 467 |
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| Sequence: | MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLS
VFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEV
VGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDK
TDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVEL
PQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYW
IIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSY
FVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVR
SSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL
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| BDBM50306592 |
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| n/a |
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| Name | BDBM50306592 |
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| Synonyms: | 3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)butan-2-yl)-1H-1,2,3-triazol-1-yl)-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one | CHEMBL600002 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H33F4N5O2 |
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| Mol. Mass. | 571.6089 |
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| SMILES | CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r| |
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| Structure | 
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