| Reaction Details |
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 | Report a problem with these data |
| Target | Cruzipain |
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| Ligand | BDBM50108849 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_158952 (CHEMBL767337) |
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| Ki | 1.1±n/a nM |
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| Citation |  Huang, L; Ellman, JA General solid-phase method to prepare novel cyclic ketone inhibitors of the cysteine protease cruzain. Bioorg Med Chem Lett12:2993-6 (2002) [PubMed] |
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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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| BDBM50108849 |
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| n/a |
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| Name | BDBM50108849 |
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| Synonyms: | CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenethyl-3-(3-phenyl-propylsulfanyl)-propylcarbamoyl]-butyl}-carbamic acid pyridin-3-ylmethyl ester | {3-Methyl-1-[2-oxo-1-phenethyl-3-(3-phenyl-propylsulfanyl)-propylcarbamoyl]-butyl}-carbamic acid pyridin-3-ylmethyl ester |
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| Type | Small organic molecule |
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| Emp. Form. | C33H41N3O4S |
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| Mol. Mass. | 575.761 |
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| SMILES | CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1 |
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| Structure | 
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