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TargetNeuraminidase
LigandBDBM5010
Substrate/CompetitorBDBM4702
Meas. Tech.Neuraminidase Inhibition Assay
IC50 3±n/a nM
Citation Kim, CULew, WWilliams, MAWu, HZhang, LChen, XEscarpe, PAMendel, DBLaver, WGStevens, RC Structure-activity relationship studies of novel carbocyclic influenza neuraminidase inhibitors. J Med Chem41:2451-60 (1998) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Neuraminidase
Name:Neuraminidase
Synonyms:Influenza A Virus Neuraminidase | NA | NRAM_I34A1 | Neuraminidase | Neuraminidase A
Type:Enzyme
Mol. Mass.:50124.14
Organism:Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(H1N1))
Description:P03468
Residue:454
Sequence:
MNPNQKIITIGSICLVVGLISLILQIGNIISIWISHSIQTGSQNHTGICNQNIITYKNST
WVKDTTSVILTGNSSLCPIRGWAIYSKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLT
QGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGI
SGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECACVNGSCFTIMTDGPSDGLASYKI
FKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIG
YICSGVFGDNPRPEDGTGSCGPVYVDGANGVKGFSYRYGNGVWIGRTKSHSSRHGFEMIW
DPNGWTETDSKFSVRQDVVAMTDWSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPKEKT
IWTSASSISFCGVNSDTVDWSWPDGAELPFSIDK
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  Blast E-value cutoff:
BDBM5010
BDBM4702
NameBDBM5010
Synonyms:(3R,4R,5S)-3-butoxy-5-carbamimidamido-4-acetamidocyclohex-1-ene-1-carboxylic acid | (3R,4R,5S)-4-Acetamido-5-guanidinyl-3-butoxy-1-cyclohexene-1-carboxylic acid | Carbocyclic Analogue 60
TypeSmall organic molecule
Emp. Form.C14H24N4O4
Mol. Mass.312.3648
SMILESCCCCO[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: