Reaction Details |
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Target | Neuraminidase |
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Ligand | BDBM5013 |
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Substrate/Competitor | BDBM4702 |
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Meas. Tech. | Neuraminidase Inhibition Assay |
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IC50 | 0.5±n/a nM |
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Citation | Kim, CU; Lew, W; Williams, MA; Wu, H; Zhang, L; Chen, X; Escarpe, PA; Mendel, DB; Laver, WG; Stevens, RC Structure-activity relationship studies of novel carbocyclic influenza neuraminidase inhibitors. J Med Chem41:2451-60 (1998) [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 |
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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BDBM5013 |
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BDBM4702 |
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Name | BDBM5013 |
Synonyms: | (3R,4R,5S)-4-Acetamido-5-guanidinyl-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid | (3R,4R,5S)-5-carbamimidamido-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | Carbocyclic Analogue 63 |
Type | Small organic molecule |
Emp. Form. | C15H26N4O4 |
Mol. Mass. | 326.3913 |
SMILES | CCC(CC)O[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:7| |
Structure |
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