E85: 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
E85 is a Ligand Of Interest in 6FUG 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 |
|---|
| 6FUG_E85_A_301 | 70% | 26% | 0.137 | 0.955 | 1.06 | 2.09 | 2 | 5 | 1 | 0 | 100% | 1 |
| 6FUG_E85_B_301 | 58% | 18% | 0.118 | 0.895 | 1.23 | 2.43 | 5 | 7 | 0 | 0 | 100% | 1 |
| 6FUG_E85_C_301 | 51% | 20% | 0.16 | 0.914 | 1.13 | 2.37 | 2 | 6 | 2 | 0 | 100% | 1 |
| 6FUG_E85_D_301 | 51% | 18% | 0.164 | 0.917 | 1.19 | 2.47 | 3 | 8 | 1 | 0 | 100% | 1 |
| 6FUG_E85_F_301 | 47% | 18% | 0.164 | 0.904 | 1.21 | 2.5 | 3 | 6 | 0 | 0 | 100% | 1 |
| 6FUG_E85_E_301 | 38% | 18% | 0.17 | 0.874 | 1.02 | 2.67 | 1 | 9 | 0 | 0 | 100% | 1 |
