A1AOG: (2R)-N-[(1P,8S,10S,14S,21M)-22-ethyl-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name)
A1AOG is a Ligand Of Interest in 9BG4 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 |
9BG4_A1AOG_C_201 | 97% | 60% | 0.055 | 0.972 | 0.84 | 0.69 | 2 | 1 | 0 | 1 | 100% | 0.5 |
9BG4_A1AOG_D_201 | 97% | 60% | 0.056 | 0.97 | 0.82 | 0.71 | 2 | - | 0 | 1 | 100% | 0.5 |