| Reaction Details |
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 | Report a problem with these data |
| Target | Neuraminidase |
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| Ligand | BDBM5202 |
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| Substrate/Competitor | BDBM4702 |
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| Meas. Tech. | Neuraminidase Inhibition Assay |
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| Ki | 20±n/a nM |
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| Citation |  Maring, CJ; Stoll, VS; Zhao, C; Sun, M; Krueger, AC; Stewart, KD; Madigan, DL; Kati, WM; Xu, Y; Carrick, RJ; Montgomery, DA; Kempf-Grote, A; Marsh, KC; Molla, A; Steffy, KR; Sham, HL; Laver, WG; Gu, YG; Kempf, DJ; Kohlbrenner, WE Structure-based characterization and optimization of novel hydrophobic binding interactions in a series of pyrrolidine influenza neuraminidase inhibitors. J Med Chem48:3980-90 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Neuraminidase |
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| Name: | Neuraminidase |
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| Synonyms: | Influenza A Virus Neuraminidase | NA | NRAM_I67A0 | Neuraminidase A |
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| Type: | Enzyme |
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| Mol. Mass.: | 52132.25 |
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| Organism: | Influenza A virus (A/Tokyo/3/67(H2N2)) |
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| Description: | P06820 |
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| Residue: | 469 |
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| Sequence: | MNPNQKIITIGSVSLTIATVCFLMQIAILVTTVTLHFKQHECDSPASNQVMPCEPIIIER
NITEIVYLNNTTIEKEICPKVVEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREP
YVSCDPVKCYQFALGQGTTLDNKHSNDTVHDRIPHRTLLMNELGVPFHLGTRQVCIAWSS
SSCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVV
MTDGSASGRADTRILFIEEGKIVHISPLAGSAQHVEECSCYPRYPGVRCICRDNWKGSNR
PVVDINMEDYSIDSSYVCSGLVGDTPRNDDRSSNSNCRNPNNERGTQGVKGWAFDNGNDL
WMGRTISKDLRSGYETFKVIGGWSTPNSKSQINRQVIVDSDNRSGYSGIFSVEGKSCINR
CFYVELIRGRKQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI
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| BDBM5202 |
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| BDBM4702 |
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| Name | BDBM5202 |
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| Synonyms: | (+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-butyl)-4-(trans-propen-1-yl)-pyrrolidine-2-carboxylic acid hydrochloric acid salt | (2R,4S,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-[(1E)-prop-1-en-1-yl]pyrrolidine-2-carboxylic acid | Pyrrolidine deriv. 30 | Pyrrolidine deriv. 32 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H26N2O3 |
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| Mol. Mass. | 282.3785 |
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| SMILES | [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| |
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| Structure | 
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