Reaction Details Report a problem with these data
Target
Legumain
Ligand
BDBM50510333
Substrate
n/a
Meas. Tech.
ChEMBL_1841425 (CHEMBL4341724)
IC50
5.5±n/a nM
Citation
 Eddie, SL; Gregson, A; Graham, E; Burton, S; Harrison, T; Burden, R; Scott, CJ; Mullan, PB; Williams, R Identification and SAR exploration of a novel series of Legumain inhibitors. Bioorg Med Chem Lett 29:1546-1548 (2019) [PubMed]  Article 
Target
Name:
Legumain
Synonyms:
3.4.22.34 | Asparaginyl endopeptidase | LGMN | LGMN_HUMAN | PRSC1 | Protease, cysteine 1
Type:
n/a
Mol. Mass.:
49411.12
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
433
Sequence:
MVWKVAVFLSVALGIGAVPIDDPEDGGKHWVVIVAGSNGWYNYRHQADACHAYQIIHRNGIPDEQIVVMMYDDIAYSEDNPTPGIVINRPNGTDVYQGVPKDYTGEDVTPQNFLAVLRGDAEAVKGIGSGKVLKSGPQDHVFIYFTDHGSTGILVFPNEDLHVKDLNETIHYMYKHKMYRKMVFYIEACESGSMMNHLPDNINVYATTAANPRESSYACYYDEKRSTYLGDWYSVNWMEDSDVEDLTKETLHKQYHLVKSHTNTSHVMQYGNKTISTMKVMQFQGMKRKASSPVPLPPVTHLDLTPSPDVPLTIMKRKLMNTNDLEESRQLTEEIQRHLDARHLIEKSVRKIVSLLAASEAEVEQLLSERAPLTGHSCYPEALLHFRTHCFNWHSPTYEYALRHLYVLVNLCEKPYPLHRIKLSMDHVCLGHY
  
Inhibitor
Name:
BDBM50510333
Synonyms:
CHEMBL4472825
Type:
Small organic molecule
Emp. Form.:
C21H22FN3O4S
Mol. Mass.:
431.48
SMILES:
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@@H](CC(N)=O)C#N |r|
Structure:
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