Reaction Details |
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Target | Legumain |
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Ligand | BDBM22137 |
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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 | 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 |
Synonyms: | Asparaginyl Endopeptidase (AE) | Legumain-like protease precursor |
Type: | Enzyme |
Mol. Mass.: | 49038.15 |
Organism: | Ixodes ricinus |
Description: | IrAE was expressed and produced in Pichia pastoris. |
Residue: | 441 |
Sequence: | MLSLRSILSLLALASLFLVASGTSVPTSKSQASADAKLWALLVAGSNGYYNYRHQADICH
AYHVLHNHGIPDERIVVMMYDDIAHDPSNPTPGIIINHLNGSNVYAGVPKDYTGDLVTPK
NFLSILQGKKIKGGSGKVIASGPNDHVFVFFADHGAPGLIAFPNDDLQATNLSRVIKRMH
KQKKFGKLVFYVEACESGSMFENLLPDDINVYATTAANSDESSYACYYDDLRQTYLGDVY
SVNWMEDSDREDLHKETLLKQFKIVRSETNTSHVMEFGDLKIANLKVSEFQGAKSTPPIV
LPKAPLDAVDSRDVPIAIVRKKLQKATDPQIKLSLKHELDQMLRNRAFLKEKMVEIVSFV
ALGDAEKTEQLLKAKIPLRDHTCYEQAVRYFDTTCFELSANPHALAHLRLLVNMCEEKIS
VSEIREAMDNVCTHPTVIGIV
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BDBM22137 |
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BDBM22115 |
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Name | BDBM22137 |
Synonyms: | aza-peptide Michael acceptor, 5q | benzyl N-[(1S)-1-{[(2S)-1-[(2E)-N-benzyl-3-[N-(carbamoylmethyl)hydrazido]-N-(naphthalen-2-ylmethyl)prop-2-enamide]-1-oxopropan-2-yl]carbamoyl}ethyl]carbamate |
Type | Small organic molecule |
Emp. Form. | C38H40N6O7 |
Mol. Mass. | 692.7602 |
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(Cc1ccccc1)Cc1ccc2ccccc2c1 |r,w:28.28| |
Structure |
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