[4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]- (3,4,5,6-tetrahydro-2h-[1,4']bipyridinyl-4-yl)- methanone (ZEN) Summary
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- [4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]- (3,4,5,6-tetrahydro-2h-[1,4']bipyridinyl-4-yl)- methanone (ZEN) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | N1.1-C2.2-C3.3-C4.65-2-1-0 N1.6-C2.3-C3.2-C4.1 | -0.749 | Rigid Ring |
| 2 | N1.1-C6.5-C5.4-C4.65-3-4-0 N1.6-C6.4-C5.5-C4.1 | -0.736 | Rigid Ring |
| 3 | C2.2-N1.1-C6.5-C5.43-4-0-1 C2.4-N1.5-C6.1-C5.2 | 0.41 | Rigid Ring |
| 4 | C2.2-C3.3-C4.6-C5.43-5-2-1 C2.4-C3.6-C4.3-C5.2 | 0.419 | Rigid Ring |
| 5 | C2.2-C3.3-C4.6-N7.76-5-2-1 C2.7-C3.6-C4.3-N7.2 | -177.65 | Rigid |
| 6 | C3.3-C4.6-C5.4-C6.54-3-5-2 C3.5-C4.4-C5.6-C6.3 | 0.31 | Rigid Ring |
| 7 | C3.3-C4.6-N7.7-C8.87-6-5-2 C3.8-C4.7-N7.6-C8.3 | 8.999 | Flexible |
| 8 | C3.3-C4.6-N7.7-C12.1110-6-5-2 C3.11-C4.7-N7.6-C12.3 | -160.195 | Flexible |
| 9 | C5.4-C4.6-N7.7-C8.87-6-5-3 C5.8-C4.7-N7.6-C8.4 | -168.934 | Flexible |
| 10 | C5.4-C4.6-N7.7-C12.1110-6-5-3 C5.11-C4.7-N7.6-C12.4 | 21.872 | Flexible |
| 11 | C6.5-N1.1-C2.2-C3.32-1-0-4 C6.3-N1.2-C2.1-C3.5 | 0.316 | Rigid Ring |
| 12 | C6.5-C5.4-C4.6-N7.76-5-3-4 C6.7-C5.6-C4.4-N7.5 | 178.384 | Rigid |
| 13 | C4.6-N7.7-C8.8-C9.98-7-6-5 C4.9-N7.8-C8.7-C9.6 | 129.284 | Flexible |
| 14 | C4.6-N7.7-C12.11-C11.109-10-6-5 C4.10-N7.11-C12.7-C11.6 | -130.552 | Flexible |
| 15 | N7.7-C8.8-C9.9-C10.1211-8-7-6 N7.12-C8.9-C9.8-C10.7 | 57.48 | Flexible Ring |
| 16 | N7.7-C12.11-C11.10-C10.1211-9-10-6 N7.12-C12.10-C11.11-C10.7 | -54.751 | Flexible Ring |
| 17 | C8.8-N7.7-C12.11-C11.109-10-6-7 C8.10-N7.11-C12.7-C11.8 | 59.267 | Flexible Ring |
| 18 | C8.8-C9.9-C10.12-C11.109-11-8-7 C8.10-C9.12-C10.9-C11.8 | -54.254 | Flexible Ring |
| 19 | C8.8-C9.9-C10.12-C13.1312-11-8-7 C8.13-C9.12-C10.9-C13.8 | -175.518 | Flexible |
| 20 | C9.9-C8.8-N7.7-C12.1110-6-7-8 C9.11-C8.7-N7.8-C12.9 | -60.481 | Flexible Ring |
| 21 | C9.9-C10.12-C11.10-C12.1110-9-11-8 C9.11-C10.10-C11.12-C12.9 | 52.642 | Flexible Ring |
| 22 | C9.9-C10.12-C13.13-O23.1413-12-11-8 C9.14-C10.13-C13.12-O23.9 | 27.163 | Flexible |
| 23 | C9.9-C10.12-C13.13-N14.1514-12-11-8 C9.15-C10.13-C13.12-N14.9 | -155.752 | Flexible |
| 24 | C11.10-C10.12-C13.13-O23.1413-12-11-9 C11.14-C10.13-C13.12-O23.10 | -93.879 | Flexible |
| 25 | C11.10-C10.12-C13.13-N14.1514-12-11-9 C11.15-C10.13-C13.12-N14.10 | 83.206 | Flexible |
| 26 | C12.11-C11.10-C10.12-C13.1312-11-9-10 C12.13-C11.12-C10.10-C13.11 | 173.589 | Flexible |
| 27 | C10.12-C13.13-N14.15-C15.1615-14-12-11 C10.16-C13.15-N14.13-C15.12 | 2.591 | Flexible |
| 28 | C10.12-C13.13-N14.15-C19.1918-14-12-11 C10.19-C13.15-N14.13-C19.12 | 179.027 | Rigid |
| 29 | C13.13-N14.15-C15.16-C16.1716-15-14-12 C13.17-N14.16-C15.15-C16.13 | -128.681 | Flexible |
| 30 | C13.13-N14.15-C19.19-C18.1817-18-14-12 C13.18-N14.19-C19.15-C18.13 | 126.156 | Flexible |
| 31 | O23.14-C13.13-N14.15-C15.1615-14-12-13 O23.16-C13.15-N14.13-C15.14 | 179.631 | Rigid |
| 32 | O23.14-C13.13-N14.15-C19.1918-14-12-13 O23.19-C13.15-N14.13-C19.14 | -3.932 | Rigid |
| 33 | N14.15-C15.16-C16.17-N17.2019-16-15-14 N14.20-C15.17-C16.16-N17.15 | -51.792 | Flexible Ring |
| 34 | N14.15-C19.19-C18.18-N17.2019-17-18-14 N14.20-C19.18-C18.19-N17.15 | 55.736 | Flexible Ring |
| 35 | C15.16-N14.15-C19.19-C18.1817-18-14-15 C15.18-N14.19-C19.15-C18.16 | -56.917 | Flexible Ring |
| 36 | C15.16-C16.17-N17.20-C18.1817-19-16-15 C15.18-C16.20-N17.17-C18.16 | 53.587 | Flexible Ring |
| 37 | C15.16-C16.17-N17.20-S20.2120-19-16-15 C15.21-C16.20-N17.17-S20.16 | -167.655 | Flexible |
| 38 | C16.17-C15.16-N14.15-C19.1918-14-15-16 C16.19-C15.15-N14.16-C19.17 | 54.716 | Flexible Ring |
| 39 | C16.17-N17.20-C18.18-C19.1918-17-19-16 C16.19-N17.18-C18.20-C19.17 | -55.423 | Flexible Ring |
| 40 | C16.17-N17.20-S20.21-O21.2221-20-19-16 C16.22-N17.21-S20.20-O21.17 | -177.828 | Flexible |
| 41 | C16.17-N17.20-S20.21-O22.2322-20-19-16 C16.23-N17.21-S20.20-O22.17 | 49.334 | Flexible |
| 42 | C16.17-N17.20-S20.21-C24.2423-20-19-16 C16.24-N17.21-S20.20-C24.17 | -63.869 | Flexible |
| 43 | C18.18-N17.20-S20.21-O21.2221-20-19-17 C18.22-N17.21-S20.20-O21.18 | -40.596 | Flexible |
| 44 | C18.18-N17.20-S20.21-O22.2322-20-19-17 C18.23-N17.21-S20.20-O22.18 | -173.434 | Flexible |
| 45 | C18.18-N17.20-S20.21-C24.2423-20-19-17 C18.24-N17.21-S20.20-C24.18 | 73.362 | Flexible |
| 46 | C19.19-C18.18-N17.20-S20.2120-19-17-18 C19.21-C18.20-N17.18-S20.19 | 165.908 | Flexible |
| 47 | N17.20-S20.21-C24.24-C25.2524-23-20-19 N17.25-S20.24-C24.21-C25.20 | -86.199 | Flexible |
| 48 | N17.20-S20.21-C24.24-C33.2625-23-20-19 N17.26-S20.24-C24.21-C33.20 | 96.53 | Flexible |
| 49 | S20.21-C24.24-C25.25-C26.2827-24-23-20 S20.28-C24.25-C25.24-C26.21 | -179.353 | Rigid |
| 50 | S20.21-C24.24-C33.26-C34.2726-25-23-20 S20.27-C24.26-C33.24-C34.21 | 179.133 | Rigid |
| 51 | O21.22-S20.21-C24.24-C25.2524-23-20-21 O21.25-S20.24-C24.21-C25.22 | 28.252 | Flexible |
| 52 | O21.22-S20.21-C24.24-C33.2625-23-20-21 O21.26-S20.24-C24.21-C33.22 | -149.019 | Flexible |
| 53 | O22.23-S20.21-C24.24-C25.2524-23-20-22 O22.25-S20.24-C24.21-C25.23 | 160.542 | Flexible |
| 54 | O22.23-S20.21-C24.24-C33.2625-23-20-22 O22.26-S20.24-C24.21-C33.23 | -16.729 | Flexible |
| 55 | C24.24-C25.25-C26.28-C27.2928-27-24-23 C24.29-C25.28-C26.25-C27.24 | 1.049 | Rigid Ring |
| 56 | C24.24-C25.25-C26.28-C31.3231-27-24-23 C24.32-C25.28-C26.25-C31.24 | -179.324 | Rigid Ring |
| 57 | C24.24-C33.26-C34.27-C27.2928-26-25-23 C24.29-C33.27-C34.26-C27.24 | -0.598 | Rigid Ring |
| 58 | C25.25-C24.24-C33.26-C34.2726-25-23-24 C25.27-C24.26-C33.24-C34.25 | 1.886 | Rigid Ring |
| 59 | C25.25-C26.28-C27.29-C34.2726-28-27-24 C25.27-C26.29-C27.28-C34.25 | 0.216 | Rigid Ring |
| 60 | C25.25-C26.28-C27.29-C28.3029-28-27-24 C25.30-C26.29-C27.28-C28.25 | 179.651 | Rigid Ring |
| 61 | C25.25-C26.28-C31.32-C30.3130-31-27-24 C25.31-C26.32-C31.28-C30.25 | -179.74 | Rigid Ring |
| 62 | C33.26-C24.24-C25.25-C26.2827-24-23-25 C33.28-C24.25-C25.24-C26.26 | -2.119 | Rigid Ring |
| 63 | C33.26-C34.27-C27.29-C26.2827-28-26-25 C33.28-C34.29-C27.27-C26.26 | -0.443 | Rigid Ring |
| 64 | C33.26-C34.27-C27.29-C28.3029-28-26-25 C33.30-C34.29-C27.27-C28.26 | -179.869 | Rigid Ring |
| 65 | C34.27-C27.29-C26.28-C31.3231-27-28-26 C34.32-C27.28-C26.29-C31.27 | -179.419 | Rigid Ring |
| 66 | C34.27-C27.29-C28.30-C29.3332-29-28-26 C34.33-C27.30-C28.29-C29.27 | 179.52 | Rigid Ring |
| 67 | C26.28-C27.29-C28.30-C29.3332-29-28-27 C26.33-C27.30-C28.29-C29.28 | 0.093 | Rigid Ring |
| 68 | C26.28-C31.32-C30.31-C29.3332-30-31-27 C26.33-C31.31-C30.32-C29.28 | 0.098 | Rigid Ring |
| 69 | C27.29-C26.28-C31.32-C30.3130-31-27-28 C27.31-C26.32-C31.28-C30.29 | -0.112 | Rigid Ring |
| 70 | C27.29-C28.30-C29.33-C30.3130-32-29-28 C27.31-C28.33-C29.30-C30.29 | -0.108 | Rigid Ring |
| 71 | C27.29-C28.30-C29.33-L32.3433-32-29-28 C27.34-C28.33-C29.30-L32.29 | 179.755 | Rigid |
| 72 | C28.30-C27.29-C26.28-C31.3231-27-28-29 C28.32-C27.28-C26.29-C31.30 | 0.016 | Rigid Ring |
| 73 | C28.30-C29.33-C30.31-C31.3231-30-32-29 C28.32-C29.31-C30.33-C31.30 | 0.012 | Rigid Ring |
| 74 | C31.32-C30.31-C29.33-L32.3433-32-30-31 C31.34-C30.33-C29.31-L32.32 | -179.851 | Rigid |
Dihedrals Histogram