Reaction Details | |||
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Target | Neuraminidase | ||
Ligand | BDBM50295349 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_578382 (CHEMBL1057938) | ||
IC50 | 8100000±n/a nM | ||
Citation | Sakamoto, J; Koyama, T; Miyamoto, D; Yingsakmongkon, S; Hidari, KI; Jampangern, W; Suzuki, T; Suzuki, Y; Esumi, Y; Nakamura, T; Hatano, K; Terunuma, D; Matsuoka, K Systematic syntheses of influenza neuraminidase inhibitors: a series of carbosilane dendrimers uniformly functionalized with thioglycoside-type sialic acid moieties. Bioorg Med Chem17:5451-64 (2009) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Neuraminidase | |||
Name: | Neuraminidase | ||
Synonyms: | NA | NRAM_I71A1 | ||
Type: | PROTEIN | ||
Mol. Mass.: | 52105.18 | ||
Organism: | Influenza A virus (strain A/Memphis/1/1971 H3N2) | ||
Description: | ChEMBL_578382 | ||
Residue: | 469 | ||
Sequence: |
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BDBM50295349 | |||
n/a | |||
Name | BDBM50295349 | ||
Synonyms: | (R,R,2S,2'S,4S,4'S,5R,5'R,6R,6'R)-2,2'-(17-(24-((2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-ylthio)-8,8-bis(3-(6-(5-((2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-ylthio)pentylthio)hexanamido)propyl)-4,4-dimethyl-13-oxo-19-thia-12-aza-4,8-disilatetracosyl)-17-(3-(6-(5-((2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-ylthio)pe | CHEMBL562908 | ||
Type | Small organic molecule | ||
Emp. Form. | C158H288N12O54S12Si3 | ||
Mol. Mass. | 3689.062 | ||
SMILES | CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCC[Si](C)(C)CCC[Si](CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O |r| | ||
Structure |