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Target
Neuraminidase
Ligand
BDBM5200
Substrate
BDBM4702
Meas. Tech.
Neuraminidase Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
45±n/a nM
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 Chem 48:3980-90 (2005) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
Influenza A Virus Neuraminidase | NA | NRAM_I67A0 | Neuraminidase A
Type:
Enzyme
Mol. Mass.:
52132.25
Organism:
Influenza A virus (A/Tokyo/3/67(H2N2))
Description:
P06820
Residue:
469
Sequence:
MNPNQKIITIGSVSLTIATVCFLMQIAILVTTVTLHFKQHECDSPASNQVMPCEPIIIERNITEIVYLNNTTIEKEICPKVVEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPVKCYQFALGQGTTLDNKHSNDTVHDRIPHRTLLMNELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVMTDGSASGRADTRILFIEEGKIVHISPLAGSAQHVEECSCYPRYPGVRCICRDNWKGSNRPVVDINMEDYSIDSSYVCSGLVGDTPRNDDRSSNSNCRNPNNERGTQGVKGWAFDNGNDLWMGRTISKDLRSGYETFKVIGGWSTPNSKSQINRQVIVDSDNRSGYSGIFSVEGKSCINRCFYVELIRGRKQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI
  
Inhibitor
Name:
BDBM5200
Synonyms:
(+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methylbutyl)-4-(1H-pyrazol-3-yl)pyrrolidine-2-carboxylic Acid Ditrifluoroacetic Acid Salt | (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(1H-pyrazol-3-yl)pyrrolidine-2-carboxylic acid | Pyrrolidine deriv. 28
Type:
Small organic molecule
Emp. Form.:
C15H24N4O3
Mol. Mass.:
308.3761
SMILES:
[H][C@]1(N[C@H](C[C@H]1c1ccn[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
Structure:
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Substrate
Name:
BDBM4702
Synonyms:
(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid | neuraminidase substrate
Type:
Small organic molecule
Emp. Form.:
C21H25NO11
Mol. Mass.:
467.4233
SMILES:
CC(=O)N[C@@H]1[C@@H](O)C[C@](Oc2ccc3c(C)cc(=O)oc3c2)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r|
Structure:
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