| 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 | BDBM22135 |
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| Substrate/Competitor | BDBM22115 |
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| Meas. Tech. | AE Enzyme Inhibition Assay |
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| Temperature | 298.15±n/a K |
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| IC50 | <1±n/a nM |
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| Comments | extracted |
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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, 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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| BDBM22135 |
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| BDBM22115 |
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| Name | BDBM22135 |
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| Synonyms: | aza-peptide Michael acceptor, 5o | benzyl N-[(1S)-1-{[(2S)-1-[(2E)-N-benzyl-3-[N-(carbamoylmethyl)hydrazido]-N-[(4-fluorophenyl)methyl]prop-2-enamide]-1-oxopropan-2-yl]carbamoyl}ethyl]carbamate |
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| Type | Small organic molecule |
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| Emp. Form. | C34H37FN6O7 |
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| Mol. Mass. | 660.692 |
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| SMILES | C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 |r,w:28.28| |
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| Structure | 
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