Docking scores for sulfated and non-sulfated glycomimetic analogues. Key: sulfate groups (red); alcohol groups (blue).
Entry | Code | Docked structure | Docking score (kJ mol−1) |
---|---|---|---|
1 | R-10 |
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−41.0 |
2 | S-10 |
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−42.0 |
3 | α-4 |
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−47.4 |
4 | β-5 |
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−51.4 |
5 | 26 |
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−47.7 |
6 | α-2 |
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−9.2 |
7 | 17f |
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−45.8 |
8 | β-3 |
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−19.2 |
9 | α-3 |
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−15.8 |
10 | 17g |
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−36.9 |
11 | 17h |
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−43.6 |
12 | 17i |
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−38.3 |
13 | 17a |
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−51.2 |
14 | 17b |
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−47.3 |
15 | 17c |
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−42.8 |
16 | 17d |
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−47.4 |
17 | 17e |
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−45.4 |