N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide (CKI) Summary
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- N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide (CKI) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-N2.2-C3.3-C4.43-2-1-0 C1.4-N2.3-C3.2-C4.1 | 1.28 | Rigid Ring |
| 2 | C1.1-C9.10-C8.9-C7.87-8-9-0 C1.8-C9.9-C8.10-C7.1 | -179.914 | Rigid Ring |
| 3 | C1.1-C9.10-C8.9-S.1211-8-9-0 C1.12-C9.9-C8.10-S.1 | -3.36 | Rigid |
| 4 | C1.1-C9.10-C10.11-C4.43-10-9-0 C1.4-C9.11-C10.10-C4.1 | -0.762 | Rigid Ring |
| 5 | C1.1-C9.10-C10.11-C5.54-10-9-0 C1.5-C9.11-C10.10-C5.1 | 179.236 | Rigid Ring |
| 6 | N2.2-C1.1-C9.10-C8.98-9-0-1 N2.9-C1.10-C9.1-C8.2 | -177.659 | Rigid Ring |
| 7 | N2.2-C1.1-C9.10-C10.1110-9-0-1 N2.11-C1.10-C9.1-C10.2 | 1.54 | Rigid Ring |
| 8 | N2.2-C3.3-C4.4-C10.1110-3-2-1 N2.11-C3.4-C4.3-C10.2 | -0.515 | Rigid Ring |
| 9 | C3.3-C4.4-C10.11-C5.54-10-3-2 C3.5-C4.11-C10.4-C5.3 | -179.749 | Rigid Ring |
| 10 | C3.3-C4.4-C10.11-C9.109-10-3-2 C3.10-C4.11-C10.4-C9.3 | 0.25 | Rigid Ring |
| 11 | C4.4-C10.11-C5.5-CL5.65-4-10-3 C4.6-C10.5-C5.11-CL5.4 | -1.07 | Rigid |
| 12 | C4.4-C10.11-C5.5-C6.76-4-10-3 C4.7-C10.5-C5.11-C6.4 | -177.95 | Rigid Ring |
| 13 | C4.4-C10.11-C9.10-C8.98-9-10-3 C4.9-C10.10-C9.11-C8.4 | 178.431 | Rigid Ring |
| 14 | C5.5-C6.7-C7.8-C8.98-7-6-4 C5.9-C6.8-C7.7-C8.5 | 1.043 | Rigid Ring |
| 15 | C5.5-C10.11-C9.10-C8.98-9-10-4 C5.9-C10.10-C9.11-C8.5 | -1.571 | Rigid Ring |
| 16 | CL5.6-C5.5-C6.7-C7.87-6-4-5 CL5.8-C5.7-C6.5-C7.6 | -178.718 | Rigid |
| 17 | CL5.6-C5.5-C10.11-C9.109-10-4-5 CL5.10-C5.11-C10.5-C9.6 | 178.932 | Rigid |
| 18 | C6.7-C5.5-C10.11-C9.109-10-4-6 C6.10-C5.11-C10.5-C9.7 | 2.051 | Rigid Ring |
| 19 | C6.7-C7.8-C8.9-C9.109-8-7-6 C6.10-C7.9-C8.8-C9.7 | -0.586 | Rigid Ring |
| 20 | C6.7-C7.8-C8.9-S.1211-8-7-6 C6.12-C7.9-C8.8-S.7 | -177.048 | Rigid |
| 21 | C7.8-C6.7-C5.5-C10.1110-4-6-7 C7.11-C6.5-C5.7-C10.8 | -1.79 | Rigid Ring |
| 22 | C7.8-C8.9-C9.10-C10.1110-9-8-7 C7.11-C8.10-C9.9-C10.8 | 0.867 | Rigid Ring |
| 23 | C7.8-C8.9-S.12-O1S.1312-11-8-7 C7.13-C8.12-S.9-O1S.8 | -15.666 | Flexible |
| 24 | C7.8-C8.9-S.12-O2S.1413-11-8-7 C7.14-C8.12-S.9-O2S.8 | 107.891 | Flexible |
| 25 | C7.8-C8.9-S.12-N1'.1514-11-8-7 C7.15-C8.12-S.9-N1'.8 | -142.287 | Flexible |
| 26 | C8.9-S.12-N1'.15-C1'.1615-14-11-8 C8.16-S.15-N1'.12-C1'.9 | 98.148 | Flexible |
| 27 | C9.10-C1.1-N2.2-C3.32-1-0-9 C9.3-C1.2-N2.1-C3.10 | -1.729 | Rigid Ring |
| 28 | C9.10-C8.9-S.12-O1S.1312-11-8-9 C9.13-C8.12-S.9-O1S.10 | 167.74 | Flexible |
| 29 | C9.10-C8.9-S.12-O2S.1413-11-8-9 C9.14-C8.12-S.9-O2S.10 | -68.702 | Flexible |
| 30 | C9.10-C8.9-S.12-N1'.1514-11-8-9 C9.15-C8.12-S.9-N1'.10 | 41.119 | Flexible |
| 31 | C10.11-C9.10-C8.9-S.1211-8-9-10 C10.12-C9.9-C8.10-S.11 | 177.421 | Rigid |
| 32 | S.12-N1'.15-C1'.16-C2'.1716-15-14-11 S.17-N1'.16-C1'.15-C2'.12 | 60.771 | Flexible |
| 33 | O1S.13-S.12-N1'.15-C1'.1615-14-11-12 O1S.16-S.15-N1'.12-C1'.13 | -26.844 | Flexible |
| 34 | O2S.14-S.12-N1'.15-C1'.1615-14-11-13 O2S.16-S.15-N1'.12-C1'.14 | -153.045 | Flexible |
| 35 | N1'.15-C1'.16-C2'.17-N2'.1817-16-15-14 N1'.18-C1'.17-C2'.16-N2'.15 | -34.632 | Flexible |
Dihedrals Histogram