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Target
Neuraminidase
Ligand
BDBM50241052
Substrate
n/a
Meas. Tech.
ChEMBL_1335031 (CHEMBL3239462)
IC50
11900±n/a nM
Citation
 Abdel-Mageed, WM; Bayoumi, SA; Chen, C; Vavricka, CJ; Li, L; Malik, A; Dai, H; Song, F; Wang, L; Zhang, J; Gao, GF; Lv, Y; Liu, L; Liu, X; Sayed, HM; Zhang, L Benzophenone C-glucosides and gallotannins from mango tree stem bark with broad-spectrum anti-viral activity. Bioorg Med Chem 22:2236-43 (2014) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
52019.94
Organism:
Influenza A virus
Description:
ChEMBL_108266
Residue:
469
Sequence:
MNPNQKIITIGSVSLTIATVCFLMQIAILATTVTLHFKQHECDSPASNQVMPCEPIIIERNITEIVYLNNTTIEKEICPKVVEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPGKCYQFALGQGTTLDNKHSNDTVHDRIPHRTLLMNELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVMTDGSASGRADTRILFIEEGKIVHISPLSGSAQHIEECSCYPRYPGVRCICRDNWKGSNRPVVDINMEDYSIDSSYVCSGLVGDTPRNDDSSSNSNCRNPNNERGTQGVKGWAFDNGNDLWMGRTISKESRSGYETFKVIGGWSTPNSKSQVNRQVIVDNNNWSGYSGIFSVEGKSCINRCFYVELIRGRPQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI
  
Inhibitor
Name:
BDBM50241052
Synonyms:
1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose | 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | CHEMBL382408 | acs.jmedchem.1c00409_ST.650 | beta-D-glucopyranose pentakis(3,4,5-trihydroxybenzoate)
Type:
Small organic molecule
Emp. Form.:
C41H32O26
Mol. Mass.:
940.6772
SMILES:
Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
Structure:
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