Reaction Details Report a problem with these data
Target
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase
Ligand
BDBM22121
Substrate
BDBM22115
Meas. Tech.
AE Enzyme Inhibition Assay
pH
6.8±n/a
Temperature
295.15±n/a K
IC50
10±n/a nM
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
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:
BDBM22121
Synonyms:
aza-peptide Michael acceptor, 5e | benzyl N-[(1S)-1-{[(2S)-1-[(2E)-N-benzyl-3-[N-(carbamoylmethyl)hydrazido]prop-2-enamide]-1-oxopropan-2-yl]carbamoyl}ethyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C27H32N6O7
Mol. Mass.:
552.579
SMILES:
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)NCc1ccccc1 |r,w:28.28|