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Target
Legumain
Ligand
BDBM50134289
Substrate
n/a
Meas. Tech.
ChEMBL_1543634 (CHEMBL3750895)
IC50
882±n/a nM
Citation
 Ness, KA; Eddie, SL; Burton, S; Harrison, T; Mullan, P; Williams, R Flat SAR of P3-methylsulphonamide based small molecule legumain inhibitors. Bioorg Med Chem Lett 26:413-6 (2016) [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:
BDBM50134289
Synonyms:
CHEMBL3746549
Type:
Small organic molecule
Emp. Form.:
C24H30N4O5S
Mol. Mass.:
486.584
SMILES:
CC(C)Oc1cccc(c1)-c1ccc(CN([C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N)S(C)(=O)=O)cc1 |r|
Structure:
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