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Reaction Details
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TargetLegumain
LigandBDBM22114
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:
BDBM22114
BDBM22115
NameBDBM22114
Synonyms:aza-peptide Michael acceptor, 7a | ethyl (2E)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}propanamido]-N'-(carbamoylmethyl)propanehydrazido]-4-oxobut-2-enoate
TypeSmall organic molecule
Emp. Form.C22H29N5O8
Mol. Mass.491.4944
SMILESCCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:6.6|
Structure
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