N-[2-(methylamino)ethyl]-5-isoquinolinesulfonamide (IQS) Summary
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- N-[2-(methylamino)ethyl]-5-isoquinolinesulfonamide (IQS) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-C2.2-C3.3-C4.43-2-1-0 C1.4-C2.3-C3.2-C4.1 | 0.048 | Rigid Ring |
| 2 | C1.1-C10.10-C5.5-C4.43-4-9-0 C1.4-C10.5-C5.10-C4.1 | 0.14 | Rigid Ring |
| 3 | C1.1-C10.10-C5.5-C6.65-4-9-0 C1.6-C10.5-C5.10-C6.1 | -179.97 | Rigid Ring |
| 4 | C1.1-C10.10-C9.9-C8.87-8-9-0 C1.8-C10.9-C9.10-C8.1 | 179.919 | Rigid Ring |
| 5 | C1.1-S.11-N1'.14-C2'.1514-13-10-0 C1.15-S.14-N1'.11-C2'.1 | 81.263 | Flexible |
| 6 | C2.2-C1.1-C10.10-C5.54-9-0-1 C2.5-C1.10-C10.1-C5.2 | -0.163 | Rigid Ring |
| 7 | C2.2-C1.1-C10.10-C9.98-9-0-1 C2.9-C1.10-C10.1-C9.2 | 179.784 | Rigid Ring |
| 8 | C2.2-C1.1-S.11-O1.1211-10-0-1 C2.12-C1.11-S.1-O1.2 | 129.768 | Flexible |
| 9 | C2.2-C1.1-S.11-O2.1312-10-0-1 C2.13-C1.11-S.1-O2.2 | -0.875 | Flexible |
| 10 | C2.2-C1.1-S.11-N1'.1413-10-0-1 C2.14-C1.11-S.1-N1'.2 | -119.239 | Flexible |
| 11 | C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 | -0.073 | Rigid Ring |
| 12 | C3.3-C4.4-C5.5-C6.65-4-3-2 C3.6-C4.5-C5.4-C6.3 | -179.911 | Rigid Ring |
| 13 | C3.3-C4.4-C5.5-C10.109-4-3-2 C3.10-C4.5-C5.4-C10.3 | -0.021 | Rigid Ring |
| 14 | C4.4-C5.5-C6.6-N7.76-5-4-3 C4.7-C5.6-C6.5-N7.4 | 179.908 | Rigid Ring |
| 15 | C4.4-C5.5-C10.10-C9.98-9-4-3 C4.9-C5.10-C10.5-C9.4 | -179.807 | Rigid Ring |
| 16 | C5.5-C6.6-N7.7-C8.87-6-5-4 C5.8-C6.7-N7.6-C8.5 | -0.065 | Rigid Ring |
| 17 | C5.5-C10.10-C9.9-C8.87-8-9-4 C5.8-C10.9-C9.10-C8.5 | -0.133 | Rigid Ring |
| 18 | C6.6-C5.5-C10.10-C9.98-9-4-5 C6.9-C5.10-C10.5-C9.6 | 0.083 | Rigid Ring |
| 19 | C6.6-N7.7-C8.8-C9.98-7-6-5 C6.9-N7.8-C8.7-C9.6 | 0.012 | Rigid Ring |
| 20 | N7.7-C6.6-C5.5-C10.109-4-5-6 N7.10-C6.5-C5.6-C10.7 | 0.017 | Rigid Ring |
| 21 | N7.7-C8.8-C9.9-C10.109-8-7-6 N7.10-C8.9-C9.8-C10.7 | 0.09 | Rigid Ring |
| 22 | C10.10-C1.1-C2.2-C3.32-1-0-9 C10.3-C1.2-C2.1-C3.10 | 0.071 | Rigid Ring |
| 23 | C10.10-C1.1-S.11-O1.1211-10-0-9 C10.12-C1.11-S.1-O1.10 | -50.504 | Flexible |
| 24 | C10.10-C1.1-S.11-O2.1312-10-0-9 C10.13-C1.11-S.1-O2.10 | 178.853 | Flexible |
| 25 | C10.10-C1.1-S.11-N1'.1413-10-0-9 C10.14-C1.11-S.1-N1'.10 | 60.489 | Flexible |
| 26 | S.11-C1.1-C2.2-C3.32-1-0-10 S.3-C1.2-C2.1-C3.11 | 179.812 | Rigid |
| 27 | S.11-C1.1-C10.10-C5.54-9-0-10 S.5-C1.10-C10.1-C5.11 | -179.891 | Rigid |
| 28 | S.11-C1.1-C10.10-C9.98-9-0-10 S.9-C1.10-C10.1-C9.11 | 0.056 | Rigid |
| 29 | S.11-N1'.14-C2'.15-C3'.1615-14-13-10 S.16-N1'.15-C2'.14-C3'.11 | 22.344 | Flexible |
| 30 | O1.12-S.11-N1'.14-C2'.1514-13-10-11 O1.15-S.14-N1'.11-C2'.12 | -167.464 | Flexible |
| 31 | O2.13-S.11-N1'.14-C2'.1514-13-10-12 O2.15-S.14-N1'.11-C2'.13 | -34.115 | Flexible |
| 32 | N1'.14-C2'.15-C3'.16-N4'.1716-15-14-13 N1'.17-C2'.16-C3'.15-N4'.14 | 134.069 | Flexible |
| 33 | C2'.15-C3'.16-N4'.17-C5'.1817-16-15-14 C2'.18-C3'.17-N4'.16-C5'.15 | -111.696 | Flexible |
Dihedrals Histogram