IBD: 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
IBD is a Ligand Of Interest in 3PEH designated by the RCSB
| Best-fitted instance in this entry |
| Other instances in this entry |
| Best-fitted instance in this entry |
| Best-fitted PDB instances with different target (top 5) |
| 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 |
|---|
| 3PEH_IBD_B_1001 | 44% | 28% | 0.194 | 0.921 | 1.21 | 1.67 | 2 | 5 | 2 | 0 | 100% | 1 |
| 3PEH_IBD_A_1001 | 37% | 32% | 0.207 | 0.906 | 1.02 | 1.65 | 3 | 7 | 2 | 0 | 100% | 1 |
| 3OMU_IBD_B_215 | 57% | 29% | 0.184 | 0.961 | 0.99 | 1.82 | 2 | 8 | 0 | 0 | 100% | 1 |
