35I: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl
]prop-2-en-1-one
35I is a Ligand Of Interest in 4ELF designated by the RCSB
| 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 |
|---|
| 4ELF_35I_C_203 | 50% | 10% | 0.139 | 0.889 | 2.53 | 1.94 | 9 | 16 | 1 | 0 | 100% | 1 |
| 4ELF_35I_H_202 | 33% | 11% | 0.154 | 0.832 | 2.37 | 2.05 | 10 | 16 | 5 | 0 | 100% | 1 |
| 4ELF_35I_A_203 | 33% | 11% | 0.171 | 0.849 | 2.51 | 1.84 | 10 | 13 | 0 | 0 | 100% | 1 |
| 4ELF_35I_E_203 | 32% | 10% | 0.17 | 0.843 | 2.54 | 1.95 | 10 | 16 | 3 | 0 | 100% | 1 |
| 4ELF_35I_G_203 | 24% | 12% | 0.156 | 0.785 | 2.42 | 1.82 | 11 | 14 | 1 | 0 | 100% | 1 |
| 4ELF_35I_F_203 | 24% | 12% | 0.171 | 0.799 | 2.32 | 1.95 | 10 | 13 | 4 | 0 | 100% | 1 |
| 4ELF_35I_B_203 | 24% | 11% | 0.17 | 0.796 | 2.51 | 1.88 | 10 | 13 | 2 | 0 | 100% | 1 |
| 4ELF_35I_D_203 | 22% | 11% | 0.193 | 0.809 | 2.47 | 1.97 | 9 | 12 | 15 | 0 | 100% | 1 |
