Ki Summary

Reaction Details

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Target

Neuraminidase

Ligand

BDBM50295349

Substrate

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 Chem 17:5451-64 (2009) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

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:

MNPNQKIITIGSVSLTIATVCFLMQIAILVTTVTLHFKQYECDSPANNQVMPCEPIIIERNITEIVYLTNTTIEKEICPKLVEYRNWSKPQCKITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPGKCYQFALGQGTTLDNKHSNDTIHDRIPHRTLLMNELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCVTGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVMTDGSASGRADTRILFIEEGKIVHISPLSGSAQHVEECSCYPRYPGVRCICRDNWKGSNRPVVDINVKDYSIDSRYVCSGLVGDTPRNNDRSSNSNCRNPNNDKGNHGVKGWAFDDGNDVWMGRTISKDSRSGYETFKVIGGWSTPNSKSQINRQVIVDSDNRSGYSGIFSVEGKSCINRCFYVELIRGREQETRVWWTSNSIVVFCGTSGTYGTGSWPDGADINLMPI

Inhibitor

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: