Reaction Details |
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Target | Neuraminidase |
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Ligand | BDBM5021 |
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Substrate/Competitor | BDBM4702 |
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Meas. Tech. | Neuraminidase Inhibition Assay |
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pH | 6.5±n/a |
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Temperature | 310.15±n/a K |
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IC50 | 13±n/a nM |
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Citation | Chand, P; Kotian, PL; Dehghani, A; El-Kattan, Y; Lin, TH; Hutchison, TL; Babu, YS; Bantia, S; Elliott, AJ; Montgomery, JA Systematic structure-based design and stereoselective synthesis of novel multisubstituted cyclopentane derivatives with potent antiinfluenza activity. J Med Chem44:4379-92 (2001) [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_I57A5 | Neuraminidase A |
Type: | Enzyme |
Mol. Mass.: | 52000.86 |
Organism: | Influenza A virus (A/Singapore/1/57(H2N2)) |
Description: | Q6XUE4 |
Residue: | 469 |
Sequence: | MNPNQKIITIGSVSLTIATVCFLMQIAILATTVTLHFKQHECDSPASNQVMPCEPIIIER
NITEIVYLNNTTIEKEICPEVVEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREP
YVSCDPGKCYQFALGQGTTLDNKHSNGTIHDRIPHRTLLMNELGVPFHLGTKQVCVAWSS
SSCHDGKAWLHVCVTGDDRNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVV
MTDGSASGRADTRILFIKEGKIVHISPLSGSAQHIEECSCYPRYPDVRCICRDNWKGSNR
PVIDINMEDYSIDSSYVCSGLVGDTPRNDDSSSNSNCRDPNNERGNPGVKGWAFDNGDDV
WMGRTINKDSRSGYETFKVIGGWSTPNSKSQVNRQVIVDNNNWSGYSGIFSVEGKSCINR
CFYVELIRGRPQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI
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BDBM5021 |
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BDBM4702 |
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Name | BDBM5021 |
Synonyms: | (1R,3R,4R)-3-carbamimidamido-4-[(1S)-1-acetamidopentyl]cyclopentane-1-carboxylic acid | Cyclopentane Derivative 29b |
Type | Small organic molecule |
Emp. Form. | C14H26N4O3 |
Mol. Mass. | 298.3812 |
SMILES | [H][C@@](CCCC)(NC(C)=O)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O |r| |
Structure |
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