B45: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one
B45 is a Ligand Of Interest in 3GC9 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 same target (top 5) |
| 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 |
|---|
| 3GC9_B45_A_365 | 38% | 45% | 0.169 | 0.873 | 0.97 | 1.16 | 1 | 5 | 2 | 0 | 100% | 1 |
| 3GC9_B45_B_365 | 19% | 47% | 0.201 | 0.791 | 0.86 | 1.2 | 1 | 5 | 1 | 0 | 100% | 1 |
| 3GC8_B45_B_365 | 53% | 41% | 0.145 | 0.905 | 0.97 | 1.36 | 2 | 7 | 3 | 0 | 100% | 1 |
| 3GC7_B45_A_361 | 60% | 50% | 0.125 | 0.911 | 0.75 | 1.16 | 1 | 4 | 0 | 0 | 100% | 1 |
