Reaction Details Report a problem with these data
Target
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase
Ligand
BDBM22142
Substrate
BDBM22115
Meas. Tech.
AE Enzyme Inhibition Assay
Temperature
298.15±n/a K
IC50
20±n/a nM
Comments
extracted
Citation
Götz, MG; James, KE; Hansell, E; Dvorák, J; Seshaadri, A; Sojka, D; Kopácek, P; McKerrow, JH; Caffrey, CR; Powers, JC Aza-peptidyl Michael Acceptors. A New Class of Potent and Selective Inhibitors of Asparaginyl Endopeptidases (Legumains) from Evolutionarily Diverse Pathogens. J Med Chem 51:2816-32 (2008) [PubMed] Article
More Info.:
Target
Name:
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase
Synonyms:
Asparaginyl Endopeptidase (AE) | Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase
Type:
Enzyme
Mol. Mass.:
42906.95
Organism:
Trichomonas vaginalis G3
Description:
A2DYT2
Residue:
388
Sequence:
MFCLLQLARCDRFAVLIAGSNDFYNYRHQADIFNMYQQLVKRGFDDQHITMMAYDDIALSSENPFRGKVFHTLKHVNIYPGSSKINYAHNSVTADQFYTVLTTLKSTTSDNVYIYYDNHGGPGILGVPDGVPGGYIEAEPLAKAFDTMEAKGLYGKLFFGIEACYSGSVAAVFRAKNMCTITAANDDESSYAAVYDSTVGAYLSNEFSNYFMAYLDSNPQNTIGNLYTKVKAQTTGSHVCYYGDVNMKNLKLSDFLGTPNEVVAPKADAKIDIIPHYLATKSTLYQLAQSTDAKIAGRAKVALHEVIAAAEKLDLTLTSIAEILEPETKNVLRAKCGKITPEYFEVLHYFTEKYGVVKGDDMIKLRVLVNLALKHKVADIKAAIDAIC
Inhibitor
Name:
BDBM22142
Synonyms:
aza-peptide Michael acceptor, 5v | benzyl N-[(1S)-1-{[(1S)-1-[N'-(carbamoylmethyl)-N'-[(2E)-4-(2,3-dihydro-1H-isoindol-2-yl)-4-oxobut-2-enoyl]hydrazinecarbonyl]ethyl]carbamoyl}ethyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C28H32N6O7
Mol. Mass.:
564.5897
SMILES:
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1Cc2ccccc2C1 |r,w:28.28|