Thieno[3,2-b]pyridine-2-sulfonic acid [1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrroldin-3-yl]-amide (815) Summary
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- Thieno[3,2-b]pyridine-2-sulfonic acid [1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrroldin-3-yl]-amide (815) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C.1-C.2-C.3-C.43-2-1-0 C.4-C.3-C.2-C.1 | -1.581 | Rigid Ring |
| 2 | C.1-C.2-C.3-C.76-2-1-0 C.7-C.3-C.2-C.1 | 177.607 | Rigid Ring |
| 3 | C.1-C.6-C.5-C.43-4-5-0 C.4-C.5-C.6-C.1 | -1.995 | Rigid Ring |
| 4 | C.1-C.6-C.30-N.2019-29-5-0 C.20-C.30-C.6-N.1 | 108.14 | Flexible |
| 5 | C.2-C.1-C.6-C.54-5-0-1 C.5-C.6-C.1-C.2 | 1.744 | Rigid Ring |
| 6 | C.2-C.1-C.6-C.3029-5-0-1 C.30-C.6-C.1-C.2 | -173.673 | Rigid |
| 7 | C.2-C.3-C.4-C.54-3-2-1 C.5-C.4-C.3-C.2 | 1.324 | Rigid Ring |
| 8 | C.2-C.3-C.4-C.109-3-2-1 C.10-C.4-C.3-C.2 | -179.95 | Rigid Ring |
| 9 | C.2-C.3-C.7-C.87-6-2-1 C.8-C.7-C.3-C.2 | -179.018 | Rigid Ring |
| 10 | C.3-C.4-C.5-C.65-4-3-2 C.6-C.5-C.4-C.3 | 0.46 | Rigid Ring |
| 11 | C.3-C.4-C.10-N.98-9-3-2 C.9-C.10-C.4-N.3 | -1.451 | Rigid Ring |
| 12 | C.3-C.4-C.10-N.2928-9-3-2 C.29-C.10-C.4-N.3 | 179.997 | Rigid |
| 13 | C.3-C.7-C.8-N.98-7-6-2 C.9-C.8-C.7-N.3 | -0.765 | Rigid Ring |
| 14 | C.4-C.3-C.7-C.87-6-2-3 C.8-C.7-C.3-C.4 | 0.174 | Rigid Ring |
| 15 | C.4-C.5-C.6-C.3029-5-4-3 C.30-C.6-C.5-C.4 | 173.427 | Rigid |
| 16 | C.4-C.10-N.9-C.87-8-9-3 C.8-C.9-N.10-C.4 | 0.919 | Rigid Ring |
| 17 | C.5-C.4-C.3-C.76-2-3-4 C.7-C.3-C.4-C.5 | -177.879 | Rigid Ring |
| 18 | C.5-C.4-C.10-N.98-9-3-4 C.9-C.10-C.4-N.5 | 177.193 | Rigid Ring |
| 19 | C.5-C.4-C.10-N.2928-9-3-4 C.29-C.10-C.4-N.5 | -1.359 | Rigid |
| 20 | C.5-C.6-C.30-N.2019-29-5-4 C.20-C.30-C.6-N.5 | -67.212 | Flexible |
| 21 | C.6-C.1-C.2-C.32-1-0-5 C.3-C.2-C.1-C.6 | 0.02 | Rigid Ring |
| 22 | C.6-C.5-C.4-C.109-3-4-5 C.10-C.4-C.5-C.6 | -178.169 | Rigid Ring |
| 23 | C.6-C.30-N.20-C.2120-19-29-5 C.21-C.20-N.30-C.6 | 111.501 | Flexible |
| 24 | C.6-C.30-N.20-C.2322-19-29-5 C.23-C.20-N.30-C.6 | -52.921 | Flexible |
| 25 | C.7-C.3-C.4-C.109-3-2-6 C.10-C.4-C.3-C.7 | 0.848 | Rigid Ring |
| 26 | C.7-C.8-N.9-C.109-8-7-6 C.10-C.9-N.8-C.7 | 0.229 | Rigid Ring |
| 27 | C.8-N.9-C.10-N.2928-9-8-7 C.29-N.10-C.9-N.8 | 179.566 | Rigid |
| 28 | C.11-C.12-C.13-C.1413-12-11-10 C.14-C.13-C.12-C.11 | -0.647 | Rigid Ring |
| 29 | C.11-C.16-N.15-C.1413-14-15-10 C.14-C.15-N.16-C.11 | -0.064 | Rigid Ring |
| 30 | C.11-C.16-C.17-C.1817-16-15-10 C.18-C.17-C.16-C.11 | 2.61 | Rigid Ring |
| 31 | C.11-S.19-C.18-C.1716-17-18-10 C.17-S.18-C.19-C.11 | 3.878 | Rigid Ring |
| 32 | C.11-S.19-C.18-S.2524-17-18-10 C.25-S.18-C.19-S.11 | -172.953 | Rigid |
| 33 | C.12-C.11-C.16-N.1514-15-10-11 C.15-C.16-C.11-N.12 | -0.514 | Rigid Ring |
| 34 | C.12-C.11-C.16-C.1716-15-10-11 C.17-C.16-C.11-C.12 | -179.02 | Rigid Ring |
| 35 | C.12-C.11-S.19-C.1817-18-10-11 C.18-C.19-S.11-C.12 | 176.889 | Rigid Ring |
| 36 | C.12-C.13-C.14-N.1514-13-12-11 C.15-C.14-C.13-N.12 | 0.082 | Rigid Ring |
| 37 | C.13-C.12-C.11-C.1615-10-11-12 C.16-C.11-C.12-C.13 | 0.854 | Rigid Ring |
| 38 | C.13-C.12-C.11-S.1918-10-11-12 C.19-C.11-C.12-S.13 | -178.339 | Rigid Ring |
| 39 | C.13-C.14-N.15-C.1615-14-13-12 C.16-C.15-N.14-C.13 | 0.284 | Rigid Ring |
| 40 | C.14-N.15-C.16-C.1716-15-14-13 C.17-N.16-C.15-C.14 | 178.248 | Rigid Ring |
| 41 | N.15-C.16-C.11-S.1918-10-15-14 N.19-C.11-C.16-S.15 | 178.811 | Rigid Ring |
| 42 | N.15-C.16-C.17-C.1817-16-15-14 N.18-C.17-C.16-C.15 | -175.862 | Rigid Ring |
| 43 | C.16-C.11-S.19-C.1817-18-10-15 C.18-C.19-S.11-C.16 | -2.362 | Rigid Ring |
| 44 | C.16-C.17-C.18-S.1918-17-16-15 C.19-C.18-C.17-S.16 | -4.374 | Rigid Ring |
| 45 | C.16-C.17-C.18-S.2524-17-16-15 C.25-C.18-C.17-S.16 | 171.93 | Rigid |
| 46 | C.17-C.16-C.11-S.1918-10-15-16 C.19-C.11-C.16-S.17 | 0.306 | Rigid Ring |
| 47 | C.17-C.18-S.25-N.2423-24-17-16 C.24-C.25-S.18-N.17 | -84.65 | Flexible |
| 48 | C.17-C.18-S.25-O.2625-24-17-16 C.26-C.25-S.18-O.17 | 27.094 | Flexible |
| 49 | C.17-C.18-S.25-O.2726-24-17-16 C.27-C.25-S.18-O.17 | 158.599 | Flexible |
| 50 | C.18-S.25-N.24-C.2221-23-24-17 C.22-S.24-N.25-C.18 | -75.025 | Flexible |
| 51 | S.19-C.18-S.25-N.2423-24-17-18 S.24-C.25-S.18-N.19 | 91.478 | Flexible |
| 52 | S.19-C.18-S.25-O.2625-24-17-18 S.26-C.25-S.18-O.19 | -156.779 | Flexible |
| 53 | S.19-C.18-S.25-O.2726-24-17-18 S.27-C.25-S.18-O.19 | -25.274 | Flexible |
| 54 | N.20-C.21-C.22-N.2423-21-20-19 N.24-C.22-C.21-N.20 | -129.444 | Flexible |
| 55 | N.20-C.21-C.22-C.4544-21-20-19 N.45-C.22-C.21-C.20 | -10.662 | Flexible Ring |
| 56 | N.20-C.23-C.45-C.2221-44-22-19 N.22-C.45-C.23-C.20 | -21.425 | Flexible Ring |
| 57 | C.21-N.20-C.23-C.4544-22-19-20 C.45-N.23-C.20-C.21 | 15.648 | Rigid Ring |
| 58 | C.21-C.22-N.24-S.2524-23-21-20 C.25-C.24-N.22-S.21 | -134.948 | Flexible |
| 59 | C.21-C.22-C.45-C.2322-44-21-20 C.23-C.45-C.22-C.21 | 19.51 | Flexible Ring |
| 60 | C.22-C.21-N.20-C.2322-19-20-21 C.23-C.20-N.21-C.22 | -3.085 | Rigid Ring |
| 61 | C.22-C.21-N.20-C.3029-19-20-21 C.30-C.20-N.21-C.22 | -168.887 | Rigid |
| 62 | C.22-N.24-S.25-O.2625-24-23-21 C.26-N.25-S.24-O.22 | 175.075 | Flexible |
| 63 | C.22-N.24-S.25-O.2726-24-23-21 C.27-N.25-S.24-O.22 | 40.251 | Flexible |
| 64 | C.23-N.20-C.21-O.2827-20-19-22 C.28-N.21-C.20-O.23 | 176.38 | Rigid |
| 65 | C.23-C.45-C.22-N.2423-21-44-22 C.24-C.22-C.45-N.23 | 138.038 | Flexible |
| 66 | N.24-C.22-C.21-O.2827-20-21-23 N.28-C.21-C.22-O.24 | 51.094 | Flexible |
| 67 | S.25-N.24-C.22-C.4544-21-23-24 S.45-N.22-C.24-C.25 | 110.417 | Flexible |
| 68 | O.28-C.21-N.20-C.3029-19-20-27 O.30-C.20-N.21-C.28 | 10.578 | Rigid |
| 69 | O.28-C.21-C.22-C.4544-21-20-27 O.45-C.22-C.21-C.28 | 169.877 | Flexible |
| 70 | C.30-N.20-C.23-C.4544-22-19-29 C.45-N.23-C.20-C.30 | -178.507 | Flexible |
Dihedrals Histogram