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. 2021 Apr 23;12(5):779–790. doi: 10.1039/d0md00366b

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 graphic file with name d0md00366b-u1.jpg −41.0
2 S-10 graphic file with name d0md00366b-u2.jpg −42.0
3 α-4 graphic file with name d0md00366b-u3.jpg −47.4
4 β-5 graphic file with name d0md00366b-u4.jpg −51.4
5 26 graphic file with name d0md00366b-u5.jpg −47.7
6 α-2 graphic file with name d0md00366b-u6.jpg −9.2
7 17f graphic file with name d0md00366b-u7.jpg −45.8
8 β-3 graphic file with name d0md00366b-u8.jpg −19.2
9 α-3 graphic file with name d0md00366b-u9.jpg −15.8
10 17g graphic file with name d0md00366b-u10.jpg −36.9
11 17h graphic file with name d0md00366b-u11.jpg −43.6
12 17i graphic file with name d0md00366b-u12.jpg −38.3
13 17a graphic file with name d0md00366b-u13.jpg −51.2
14 17b graphic file with name d0md00366b-u14.jpg −47.3
15 17c graphic file with name d0md00366b-u15.jpg −42.8
16 17d graphic file with name d0md00366b-u16.jpg −47.4
17 17e graphic file with name d0md00366b-u17.jpg −45.4