Reaction Details Report a problem with these data
Target
Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase
Ligand
BDBM22145
Substrate
BDBM22115
Meas. Tech.
AE Enzyme Inhibition Assay
Temperature
298.15±n/a K
IC50
<10±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:
BDBM22145
Synonyms:
Biotinylated Michael acceptor, 12 | ethyl (2E)-4-[(2S)-2-[(2S)-2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}propanamido]-N'-(carbamoylmethyl)propanehydrazido]-4-oxobut-2-enoate
Type:
Small organic molecule
Emp. Form.:
C24H37N7O8S
Mol. Mass.:
583.658
SMILES:
[H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCC)[C@@]1([H])NC(=O)N2 |r,w:29.28|