| Reaction Details |
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 | Report a problem with these data |
| Target | Legumain |
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| Ligand | BDBM22126 |
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| Substrate/Competitor | BDBM22115 |
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| Meas. Tech. | AE Enzyme Inhibition Assay |
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| pH | 6.8±n/a |
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| Temperature | 295.15±n/a K |
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| IC50 | 35±n/a nM |
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| Citation |  Götz, MG; James, KE; Hansell, E; Dvorák, J; Seshaadri, A; Sojka, D; Kopácek, P; McKerrow, JH; Caffrey, CR; Powers, JC Aza-peptidyl Michael Acceptors. A New Class of Potent and Selective Inhibitors of Asparaginyl Endopeptidases (Legumains) from Evolutionarily Diverse Pathogens. J Med Chem51:2816-32 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Legumain |
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| Name: | Legumain |
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| Synonyms: | Asparaginyl Endopeptidase (AE) |
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| Type: | Enzyme |
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| Mol. Mass.: | 49047.79 |
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| Organism: | Schistosoma mansoni |
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| Description: | Q9NFY9 |
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| Residue: | 429 |
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| Sequence: | MMLFSLFLISILHILLVKCQLDTNYEVSDETVSDNNKWAVLVAGSNGYPNYRHQADVCHA
YHVLRSKGIKPEHIITMMYDDIAYNLMNPFPGKLFNDYNHKDWYEGVVIDYRGKKVNSKT
FLKVLKGDKSAGGKVLKSGKNDDVFIYFTDHGAPGLIAFPDDELYAKQFMSTLKYLHSHK
RYSKLVIYIEACESGSMFQRILPSNLSIYATTAASPTESSYGTFCDDPTITTCLADLYSY
DWIVDSQTHHLTQRTLDQQYKEVKRETNLSHVQRYGDTRMGKLHVSEFQGSRDKSSTEND
EPPMKPRHSIASRDIPLHTLHRQIMMTNNAEDKSFLMQILGLKLKRRDLIEDTMKLIVKV
MNNEEIPNTKATIDQTLDCTESVYEQFKSKCFTLQQAPEVGGHFSTLYNYCADGYTAETI
NEAIIKICG
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| BDBM22126 |
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| BDBM22115 |
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| Name | BDBM22126 |
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| Synonyms: | aza-peptide Michael acceptor, 5j | benzyl N-[(1S)-1-{[(2S)-1-[(2E)-3-[N-(carbamoylmethyl)hydrazido]-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-enamide]-1-oxopropan-2-yl]carbamoyl}ethyl]carbamate |
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| Type | Small organic molecule |
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| Emp. Form. | C32H36N6O7 |
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| Mol. Mass. | 616.6642 |
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| SMILES | C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1cccc2ccccc12 |r,w:28.28| |
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| Structure | 
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