A1ITI: (5~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-~{N}-ethyl-1-thieno[2,3-c]pyridin-4-ylcarbonyl-1,4-diazepane-5-carboxamide
A1ITI is a Ligand Of Interest in 9HAK designated by the Author
| Best-fitted instance in this entry |
| Other instances in this entry |
| Identifier | Ranking for goodness of fit | Ranking for geometry | Real space R factor | Real space correlation coefficient | RMSZ-bond-length | RMSZ-bond-angle | Outliers of bond length | Outliers of bond angle | Atomic clashes | Stereochemical errors | Model completeness | Average occupancy |
|---|
| 9HAK_A1ITI_A_401 | 99% | 61% | 0.054 | 0.986 | 0.53 | 0.94 | 1 | 2 | 0 | 0 | 100% | 0.99 |
| 9HAK_A1ITI_B_401 | 95% | 58% | 0.069 | 0.975 | 0.6 | 1 | 1 | 5 | 0 | 0 | 100% | 0.99 |
