| Reaction Details |
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 | Report a problem with these data |
| Target | Legumain |
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| Ligand | BDBM22145 |
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| Substrate/Competitor | BDBM22115 |
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| Meas. Tech. | AE Enzyme Inhibition Assay |
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| Temperature | 298.15±n/a K |
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| IC50 | 2.8±n/a nM |
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| Comments | extracted |
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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, Solution Info, Assay Method |
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| Legumain |
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| Name: | Legumain |
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| Synonyms: | Asparaginyl Endopeptidase (AE) | Legumain-like protease precursor |
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| Type: | Enzyme |
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| Mol. Mass.: | 49038.15 |
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| Organism: | Ixodes ricinus |
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| Description: | IrAE was expressed and produced in Pichia pastoris. |
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| Residue: | 441 |
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| Sequence: | MLSLRSILSLLALASLFLVASGTSVPTSKSQASADAKLWALLVAGSNGYYNYRHQADICH
AYHVLHNHGIPDERIVVMMYDDIAHDPSNPTPGIIINHLNGSNVYAGVPKDYTGDLVTPK
NFLSILQGKKIKGGSGKVIASGPNDHVFVFFADHGAPGLIAFPNDDLQATNLSRVIKRMH
KQKKFGKLVFYVEACESGSMFENLLPDDINVYATTAANSDESSYACYYDDLRQTYLGDVY
SVNWMEDSDREDLHKETLLKQFKIVRSETNTSHVMEFGDLKIANLKVSEFQGAKSTPPIV
LPKAPLDAVDSRDVPIAIVRKKLQKATDPQIKLSLKHELDQMLRNRAFLKEKMVEIVSFV
ALGDAEKTEQLLKAKIPLRDHTCYEQAVRYFDTTCFELSANPHALAHLRLLVNMCEEKIS
VSEIREAMDNVCTHPTVIGIV
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| BDBM22145 |
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| BDBM22115 |
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| Name | BDBM22145 |
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| Synonyms: | Biotinylated Michael acceptor, 12 | ethyl (2E)-4-[(2S)-2-[(2S)-2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}propanamido]-N'-(carbamoylmethyl)propanehydrazido]-4-oxobut-2-enoate |
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| Type | Small organic molecule |
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| Emp. Form. | C24H37N7O8S |
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| Mol. Mass. | 583.658 |
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| SMILES | [H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCC)[C@@]1([H])NC(=O)N2 |r,w:29.28| |
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| Structure | 
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