816: 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
816 is a Ligand Of Interest in 5GTY 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 |
|---|
| 5GTY_816_B_1101 | 44% | 2% | 0.204 | 0.931 | 4.41 | 2.32 | 11 | 10 | 6 | 0 | 100% | 1 |
| 5GTY_816_D_1101 | 43% | 3% | 0.196 | 0.919 | 4.51 | 2.18 | 10 | 7 | 11 | 0 | 100% | 1 |
| 5GTY_816_A_1101 | 41% | 3% | 0.204 | 0.922 | 4.29 | 2.15 | 11 | 8 | 2 | 0 | 100% | 1 |
| 5GTY_816_C_1101 | 27% | 3% | 0.228 | 0.878 | 4.21 | 2.19 | 10 | 10 | 7 | 0 | 100% | 1 |
| 5GTY_816_G_1101 | 24% | 2% | 0.256 | 0.888 | 4.51 | 2.3 | 11 | 10 | 12 | 0 | 100% | 1 |
| 5GTY_816_F_1101 | 24% | 5% | 0.247 | 0.877 | 3.63 | 2.02 | 10 | 11 | 7 | 0 | 100% | 1 |
| 5GTY_816_E_1101 | 18% | 3% | 0.261 | 0.848 | 4.03 | 2.14 | 11 | 10 | 7 | 0 | 100% | 1 |
| 5GTY_816_H_1101 | 14% | 3% | 0.287 | 0.842 | 4.37 | 2.26 | 11 | 9 | 9 | 0 | 100% | 1 |
