Reaction Details Report a problem with these data
Target
Legumain
Ligand
BDBM50378273
Substrate
n/a
Meas. Tech.
ChEMBL_589116 (CHEMBL1038469)
IC50
5±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:
BDBM50378273
Synonyms:
CHEMBL583115
Type:
Small organic molecule
Emp. Form.:
C44H52N8O8
Mol. Mass.:
820.9325
SMILES:
C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 |r,w:33.33|
Structure:
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