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| Compound | ||||
|---|---|---|---|---|
| ACE |
renin |
|||
| interaction (kcal/mol) | 1-pentyltetrahydro-β-5,6-carboline-3-carboxylic acid | glucotropaeolin | 1-pentyltetrahydro-β-5,6-carboline-3-carboxylic acid | N-(3-methoxybenzyl)-(9Z,12Z,15Z)-octadecatrienamide |
| VDWAALS | –26.44 | –36.44 | –23.86 | –27.02 |
| EEL | –57.5 | 3.71 | –13.54 | 5.32 |
| EGB | 60.97 | 12.56 | 59.26 | 19.27 |
| ESURF | –4.06 | –5.62 | –4.3194 | –4.77 |
| ΔTOTAL | –27.03 | –25.79 | 17.5406 | –7.2 |
