XLQ: 2-azanyl-4-(trifluoromethyl)-6-[[(1~{R},3~{S})-3-(trifluoromethyl)cyclohexyl]methyl]-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one
XLQ is a Ligand Of Interest in 8R2A 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 |
|---|
| 8R2A_XLQ_A_701 | 87% | 47% | 0.074 | 0.944 | 0.69 | 1.33 | 1 | 4 | 0 | 0 | 100% | 1 |
| 8R2A_XLQ_D_701 | 84% | 59% | 0.076 | 0.938 | 0.66 | 0.92 | - | 2 | 0 | 0 | 100% | 1 |
| 8R2A_XLQ_C_701 | 82% | 53% | 0.082 | 0.938 | 0.69 | 1.13 | - | 3 | 0 | 0 | 100% | 1 |
| 8R2A_XLQ_B_701 | 73% | 53% | 0.092 | 0.917 | 0.66 | 1.16 | 1 | 2 | 0 | 0 | 100% | 1 |
