| Reaction Details |
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 | Report a problem with these data |
| Target | Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase |
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| Ligand | BDBM22114 |
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| Substrate/Competitor | BDBM22115 |
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| Meas. Tech. | AE Enzyme Inhibition Assay |
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| pH | 6.8±n/a |
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| Temperature | 295.15±n/a K |
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| IC50 | 4.5±n/a nM |
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| 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 Chem51:2816-32 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase |
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| Name: | Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase |
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| Synonyms: | Asparaginyl Endopeptidase (AE) | Clan CD, family C13, asparaginyl endopeptidase-like cysteine peptidase |
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| Type: | Enzyme |
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| Mol. Mass.: | 42906.95 |
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| Organism: | Trichomonas vaginalis G3 |
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| Description: | A2DYT2 |
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| Residue: | 388 |
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| Sequence: | MFCLLQLARCDRFAVLIAGSNDFYNYRHQADIFNMYQQLVKRGFDDQHITMMAYDDIALS
SENPFRGKVFHTLKHVNIYPGSSKINYAHNSVTADQFYTVLTTLKSTTSDNVYIYYDNHG
GPGILGVPDGVPGGYIEAEPLAKAFDTMEAKGLYGKLFFGIEACYSGSVAAVFRAKNMCT
ITAANDDESSYAAVYDSTVGAYLSNEFSNYFMAYLDSNPQNTIGNLYTKVKAQTTGSHVC
YYGDVNMKNLKLSDFLGTPNEVVAPKADAKIDIIPHYLATKSTLYQLAQSTDAKIAGRAK
VALHEVIAAAEKLDLTLTSIAEILEPETKNVLRAKCGKITPEYFEVLHYFTEKYGVVKGD
DMIKLRVLVNLALKHKVADIKAAIDAIC
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| BDBM22114 |
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| BDBM22115 |
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| Name | BDBM22114 |
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| Synonyms: | aza-peptide Michael acceptor, 7a | ethyl (2E)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}propanamido]-N'-(carbamoylmethyl)propanehydrazido]-4-oxobut-2-enoate |
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| Type | Small organic molecule |
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| Emp. Form. | C22H29N5O8 |
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| Mol. Mass. | 491.4944 |
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| SMILES | CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:6.6| |
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| Structure | 
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