| Reaction Details |
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 | Report a problem with these data |
| Target | Hemagglutinin |
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| Ligand | BDBM5023 |
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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 | 2±1 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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| Hemagglutinin |
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| Name: | Hemagglutinin |
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| Synonyms: | Influenza B Virus Neuraminidase | Neuraminidase B |
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| Type: | Enzyme |
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| Mol. Mass.: | 37412.70 |
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| Organism: | Influenza B virus (B/Victoria/70) |
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| Description: | Q9QMU3 |
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| Residue: | 346 |
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| Sequence: | DRICTGITSSNSPHVVKTATQGEVNVTGVIPLTTTPTKSHFANLKGTQTRGKLCPNCLNC
TDLDVALGRPNCMGTIPSAKASILHEVKPVTSGCFPIMHDRTKIRQLPNLLRGYENIRLS
PRNVINAEAAPGGPYIVGTSGSCPNVTNGKGFFATMAWAVPKKNNKTATNPLTVEVPYIC
TKGEDQITVWGFHSDNEAQMVTLYGDSKPQKFTSSANGVTTHYVSQIGGFPNQTEDEGLP
QSGRIVVDYMVQKPGKTGTIVYQRGVLLPQKVWCASGRSKVIKGSLPLIGEADCLHERYG
GLNKSKPYYTGEHAKAIGNCPIWVKTPLKLANGTKYRPPAKLLKER
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| BDBM5023 |
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| BDBM4702 |
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| Name | BDBM5023 |
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| Synonyms: | (-)-(1R,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylbutyl]-4-{[amino(imino)methyl]amino}cyclopentanecarboxylic Acid | (1R,3R,4R)-3-carbamimidamido-4-[(1S)-1-acetamido-2-ethylbutyl]cyclopentane-1-carboxylic acid | Cyclopentane Derivative 50 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H28N4O3 |
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| Mol. Mass. | 312.4078 |
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| SMILES | [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O |r| |
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| Structure | 
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