配体名称 |
| 相互作用距离及类型 | ||||||
| 相互作用能 | GLU205 | GLU206 | TYR662 | ARG125 | PHE357 | TYR547 | TYR666 |
alogliptin | −47.9805 | salt bridge 3.39505 | 2.039 (H-bond) | 2.35119 (H-bond) | 2.52806 (H-bond) | Pi-stacking 4.51539 |
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linagliptin | −64.5003 | 2.33181 (H-bond) | salt bridge 2.9098 | 2.53557 (H-bond) |
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| salt bridge 5.28194 |
|
saxagliptin | −67.8099 | 2.40782 (H-bond) (side chain) 2.23433 (H-bond) (backbone) | 1.71423 (H-bond) | 2.5392 (H-bond) | 2.22074 (H-bond) |
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sitagliptin | −79.1987 | 1.89363 (H-bond) | salt bridge 2.77566 | 1.77592 (H-bond) |
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| Pi-stacking 4.65316 |
vildagliptin | −46.9239 | 1.73979 (H-bond) | salt bridge 4.87331 |
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