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Target
Neuraminidase
Ligand
BDBM5025
Substrate
n/a
Meas. Tech.
ChEMBL_806216 (CHEMBL1958757)
IC50
0.200000±n/a nM
Citation
Kongkamnerd, J; Cappelletti, L; Prandi, A; Seneci, P; Rungrotmongkol, T; Jongaroonngamsang, N; Rojsitthisak, P; Frecer, V; Milani, A; Cattoli, G; Terregino, C; Capua, I; Beneduce, L; Gallotta, A; Pengo, P; Fassina, G; Miertus, S; De-Eknamkul, W Synthesis and in vitro study of novel neuraminidase inhibitors against avian influenza virus. Bioorg Med Chem 20:2152-7 (2012) [PubMed] Article
More Info.:
Target
Name:
Neuraminidase
Synonyms:
NA | NRAM_I33A0
Type:
PROTEIN
Mol. Mass.:
49687.56
Organism:
Influenza A virus
Description:
ChEMBL_1347422
Residue:
453
Sequence:
MNPNQKIITIGSICMVVGIISLILQIGNIISIWISHSIQTGNQNHTGICNQGIITYNVVAGQDSTSVILTGNSSLCPIRGWAIHSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECTCVNGSCFTIMTDGPSNGLASYKIFKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGYICSGVFGDNPRPKDGPGSCGPVSADGANGVKGFSYRYGNGVWIGRTKSDSSRHGFEMIWDPNGWTETDSRFSVRQDVVAMTDRSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPEEETIWTSGSIISFCGVNSDTVDWSWPDGAELPFTIDK
Inhibitor
Name:
BDBM5025
Synonyms:
Oseltamivir | US10919856, POSITIVE CONTROL | ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C16H28N2O4
Mol. Mass.:
312.4045
SMILES:
[H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|