Reaction Details Report a problem with these data
Target
Legumain
Ligand
BDBM50378246
Substrate
n/a
Meas. Tech.
ChEMBL_589116 (CHEMBL1038469)
IC50
1.7±n/a nM
Citation
 Ovat, A; Muindi, F; Fagan, C; Brouner, M; Hansell, E; Dvorák, J; Sojka, D; Kopácek, P; McKerrow, JH; Caffrey, CR; Powers, JC Aza-peptidyl Michael acceptor and epoxide inhibitors--potent and selective inhibitors of Schistosoma mansoni and Ixodes ricinus legumains (asparaginyl endopeptidases). J Med Chem 52:7192-210 (2009) [PubMed]  Article 
Target
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:
MLSLRSILSLLALASLFLVASGTSVPTSKSQASADAKLWALLVAGSNGYYNYRHQADICHAYHVLHNHGIPDERIVVMMYDDIAHDPSNPTPGIIINHLNGSNVYAGVPKDYTGDLVTPKNFLSILQGKKIKGGSGKVIASGPNDHVFVFFADHGAPGLIAFPNDDLQATNLSRVIKRMHKQKKFGKLVFYVEACESGSMFENLLPDDINVYATTAANSDESSYACYYDDLRQTYLGDVYSVNWMEDSDREDLHKETLLKQFKIVRSETNTSHVMEFGDLKIANLKVSEFQGAKSTPPIVLPKAPLDAVDSRDVPIAIVRKKLQKATDPQIKLSLKHELDQMLRNRAFLKEKMVEIVSFVALGDAEKTEQLLKAKIPLRDHTCYEQAVRYFDTTCFELSANPHALAHLRLLVNMCEEKISVSEIREAMDNVCTHPTVIGIV
  
Inhibitor
Name:
BDBM50378246
Synonyms:
CHEMBL584155
Type:
Small organic molecule
Emp. Form.:
C31H39N7O8
Mol. Mass.:
637.6835
SMILES:
C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 |r|
Structure:
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