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Reaction Details
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TargetLegumain
LigandBDBM22142
Substrate/CompetitorBDBM22115
Meas. Tech.AE Enzyme Inhibition Assay
Temperature298.15±n/a K
IC50 4.5±n/a nM
Commentsextracted
Citation Götz, MGJames, KEHansell, EDvorák, JSeshaadri, ASojka, DKopácek, PMcKerrow, JHCaffrey, CRPowers, 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
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Legumain
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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  Blast E-value cutoff:
BDBM22142
BDBM22115
NameBDBM22142
Synonyms:aza-peptide Michael acceptor, 5v | benzyl N-[(1S)-1-{[(1S)-1-[N'-(carbamoylmethyl)-N'-[(2E)-4-(2,3-dihydro-1H-isoindol-2-yl)-4-oxobut-2-enoyl]hydrazinecarbonyl]ethyl]carbamoyl}ethyl]carbamate
TypeSmall organic molecule
Emp. Form.C28H32N6O7
Mol. Mass.564.5897
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1Cc2ccccc2C1 |r,w:28.28|
Structure
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