4-(4-fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole (SB4) Summary
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- 4-(4-fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole (SB4) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | CA1.1-CA2.2-NA3.3-CA4.43-2-1-0 CA1.4-CA2.3-NA3.2-CA4.1 | 48.439 | Rigid Ring |
| 2 | CA1.1-CA6.6-CA5.5-CA4.43-4-5-0 CA1.4-CA6.5-CA5.6-CA4.1 | -50.262 | Rigid Ring |
| 3 | CA1.1-CA6.6-ND1.21-CD2.2221-20-5-0 CA1.22-CA6.21-ND1.6-CD2.1 | -81.187 | Flexible |
| 4 | CA1.1-CA6.6-ND1.21-CD5.2524-20-5-0 CA1.25-CA6.21-ND1.6-CD5.1 | 96.977 | Flexible |
| 5 | CA2.2-CA1.1-CA6.6-CA5.54-5-0-1 CA2.5-CA1.6-CA6.1-CA5.2 | 53.09 | Rigid Ring |
| 6 | CA2.2-CA1.1-CA6.6-ND1.2120-5-0-1 CA2.21-CA1.6-CA6.1-ND1.2 | 178.761 | Rigid |
| 7 | CA2.2-NA3.3-CA4.4-CA5.54-3-2-1 CA2.5-NA3.4-CA4.3-CA5.2 | -44.34 | Rigid Ring |
| 8 | NA3.3-CA4.4-CA5.5-CA6.65-4-3-2 NA3.6-CA4.5-CA5.4-CA6.3 | 45.099 | Rigid Ring |
| 9 | CA4.4-CA5.5-CA6.6-ND1.2120-5-4-3 CA4.21-CA5.6-CA6.5-ND1.4 | -173.019 | Rigid |
| 10 | CA5.5-CA6.6-ND1.21-CD2.2221-20-5-4 CA5.22-CA6.21-ND1.6-CD2.5 | 43.032 | Flexible |
| 11 | CA5.5-CA6.6-ND1.21-CD5.2524-20-5-4 CA5.25-CA6.21-ND1.6-CD5.5 | -138.803 | Flexible |
| 12 | CA6.6-CA1.1-CA2.2-NA3.32-1-0-5 CA6.3-CA1.2-CA2.1-NA3.6 | -51.913 | Rigid Ring |
| 13 | CA6.6-ND1.21-CD2.22-ND3.2322-21-20-5 CA6.23-ND1.22-CD2.21-ND3.6 | 178.233 | Rigid |
| 14 | CA6.6-ND1.21-CD5.25-CC2.1514-24-20-5 CA6.15-ND1.25-CD5.21-CC2.6 | 0.961 | Rigid |
| 15 | CA6.6-ND1.21-CD5.25-CD4.2423-24-20-5 CA6.24-ND1.25-CD5.21-CD4.6 | -177.642 | Rigid |
| 16 | CB1.7-CB2.8-CB3.9-CB4.109-8-7-6 CB1.10-CB2.9-CB3.8-CB4.7 | -0.195 | Rigid Ring |
| 17 | CB1.7-CB2.8-CB3.9-FB7.1312-8-7-6 CB1.13-CB2.9-CB3.8-FB7.7 | 179.792 | Rigid |
| 18 | CB1.7-CB6.12-CB5.11-CB4.109-10-11-6 CB1.10-CB6.11-CB5.12-CB4.7 | -0.072 | Rigid Ring |
| 19 | CB1.7-CB6.12-CD4.24-ND3.2322-23-11-6 CB1.23-CB6.24-CD4.12-ND3.7 | -141.862 | Flexible |
| 20 | CB1.7-CB6.12-CD4.24-CD5.2524-23-11-6 CB1.25-CB6.24-CD4.12-CD5.7 | 50.505 | Flexible |
| 21 | CB2.8-CB1.7-CB6.12-CB5.1110-11-6-7 CB2.11-CB1.12-CB6.7-CB5.8 | 0.105 | Rigid Ring |
| 22 | CB2.8-CB1.7-CB6.12-CD4.2423-11-6-7 CB2.24-CB1.12-CB6.7-CD4.8 | -179.196 | Rigid |
| 23 | CB2.8-CB3.9-CB4.10-CB5.1110-9-8-7 CB2.11-CB3.10-CB4.9-CB5.8 | 0.229 | Rigid Ring |
| 24 | CB3.9-CB2.8-CB1.7-CB6.1211-6-7-8 CB3.12-CB2.7-CB1.8-CB6.9 | 0.026 | Rigid Ring |
| 25 | CB3.9-CB4.10-CB5.11-CB6.1211-10-9-8 CB3.12-CB4.11-CB5.10-CB6.9 | -0.093 | Rigid Ring |
| 26 | CB4.10-CB5.11-CB6.12-CD4.2423-11-10-9 CB4.24-CB5.12-CB6.11-CD4.10 | 179.251 | Rigid |
| 27 | CB5.11-CB4.10-CB3.9-FB7.1312-8-9-10 CB5.13-CB4.9-CB3.10-FB7.11 | -179.758 | Rigid |
| 28 | CB5.11-CB6.12-CD4.24-ND3.2322-23-11-10 CB5.23-CB6.24-CD4.12-ND3.11 | 38.855 | Flexible |
| 29 | CB5.11-CB6.12-CD4.24-CD5.2524-23-11-10 CB5.25-CB6.24-CD4.12-CD5.11 | -128.777 | Flexible |
| 30 | CB6.12-CD4.24-ND3.23-CD2.2221-22-23-11 CB6.22-CD4.23-ND3.24-CD2.12 | -169.207 | Rigid |
| 31 | CB6.12-CD4.24-CD5.25-CC2.1514-24-23-11 CB6.15-CD4.25-CD5.24-CC2.12 | -10.883 | Rigid |
| 32 | CB6.12-CD4.24-CD5.25-ND1.2120-24-23-11 CB6.21-CD4.25-CD5.24-ND1.12 | 167.664 | Rigid |
| 33 | CC1.14-CC2.15-NC3.16-CC4.1716-15-14-13 CC1.17-CC2.16-NC3.15-CC4.14 | -0.032 | Rigid Ring |
| 34 | CC1.14-CC2.15-CD5.25-ND1.2120-24-14-13 CC1.21-CC2.25-CD5.15-ND1.14 | 52.451 | Flexible |
| 35 | CC1.14-CC2.15-CD5.25-CD4.2423-24-14-13 CC1.24-CC2.25-CD5.15-CD4.14 | -129.22 | Flexible |
| 36 | CC1.14-CC6.19-NC5.18-CC4.1716-17-18-13 CC1.17-CC6.18-NC5.19-CC4.14 | 0.133 | Rigid Ring |
| 37 | CC2.15-CC1.14-CC6.19-NC5.1817-18-13-14 CC2.18-CC1.19-CC6.14-NC5.15 | -0.201 | Rigid Ring |
| 38 | CC2.15-NC3.16-CC4.17-NC5.1817-16-15-14 CC2.18-NC3.17-CC4.16-NC5.15 | -0.046 | Rigid Ring |
| 39 | CC2.15-NC3.16-CC4.17-NC7.2019-16-15-14 CC2.20-NC3.17-CC4.16-NC7.15 | 179.746 | Rigid |
| 40 | CC2.15-CD5.25-ND1.21-CD2.2221-20-24-14 CC2.22-CD5.21-ND1.25-CD2.15 | 179.481 | Rigid |
| 41 | CC2.15-CD5.25-CD4.24-ND3.2322-23-24-14 CC2.23-CD5.24-CD4.25-ND3.15 | -179.684 | Rigid |
| 42 | NC3.16-CC2.15-CC1.14-CC6.1918-13-14-15 NC3.19-CC2.14-CC1.15-CC6.16 | 0.147 | Rigid Ring |
| 43 | NC3.16-CC2.15-CD5.25-ND1.2120-24-14-15 NC3.21-CC2.25-CD5.15-ND1.16 | -127.995 | Flexible |
| 44 | NC3.16-CC2.15-CD5.25-CD4.2423-24-14-15 NC3.24-CC2.25-CD5.15-CD4.16 | 50.334 | Flexible |
| 45 | NC3.16-CC4.17-NC5.18-CC6.1918-17-16-15 NC3.19-CC4.18-NC5.17-CC6.16 | -0.004 | Rigid Ring |
| 46 | CC4.17-NC3.16-CC2.15-CD5.2524-14-15-16 CC4.25-NC3.15-CC2.16-CD5.17 | -179.596 | Rigid |
| 47 | CC6.19-CC1.14-CC2.15-CD5.2524-14-13-18 CC6.25-CC1.15-CC2.14-CD5.19 | 179.702 | Rigid |
| 48 | CC6.19-NC5.18-CC4.17-NC7.2019-16-17-18 CC6.20-NC5.17-CC4.18-NC7.19 | -179.795 | Rigid |
| 49 | ND1.21-CD2.22-ND3.23-CD4.2423-22-21-20 ND1.24-CD2.23-ND3.22-CD4.21 | -0.275 | Rigid Ring |
| 50 | ND1.21-CD5.25-CD4.24-ND3.2322-23-24-20 ND1.23-CD5.24-CD4.25-ND3.21 | -1.137 | Rigid Ring |
| 51 | CD2.22-ND1.21-CD5.25-CD4.2423-24-20-21 CD2.24-ND1.25-CD5.21-CD4.22 | 0.878 | Rigid Ring |
| 52 | CD2.22-ND3.23-CD4.24-CD5.2524-23-22-21 CD2.25-ND3.24-CD4.23-CD5.22 | 0.822 | Rigid Ring |
| 53 | ND3.23-CD2.22-ND1.21-CD5.2524-20-21-22 ND3.25-CD2.21-ND1.22-CD5.23 | -0.411 | Rigid Ring |
Dihedrals Histogram