599: 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol
599 is a Ligand Of Interest in 3IEJ 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 |
|---|
| 3IEJ_599_B_221 | 63% | 18% | 0.134 | 0.931 | 1.73 | 1.94 | 4 | 9 | 0 | 0 | 100% | 1 |
| 3IEJ_599_A_221 | 61% | 17% | 0.141 | 0.93 | 1.8 | 1.94 | 4 | 12 | 0 | 0 | 100% | 1 |
