A1A12: methyl [(4S,6M,10aM)-6-(1H-indol-3-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate
A1A12 is a Ligand Of Interest in 9D5O 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 |
|---|
| 9D5O_A1A12_A_501 | 67% | 5% | 0.117 | 0.925 | 2.94 | 2.53 | 8 | 11 | 0 | 0 | 100% | 1 |
| 9D5O_A1A12_D_501 | 59% | 4% | 0.125 | 0.908 | 2.92 | 2.63 | 9 | 10 | 0 | 0 | 100% | 1 |
| 9D5O_A1A12_B_501 | 58% | 4% | 0.127 | 0.904 | 2.9 | 2.71 | 9 | 10 | 0 | 0 | 100% | 1 |
| 9D5O_A1A12_C_501 | 58% | 4% | 0.131 | 0.908 | 2.9 | 2.63 | 9 | 11 | 0 | 0 | 100% | 1 |
