3MS: N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7
-yl}methanesulfonamide
3MS is a Ligand Of Interest in 3CO9 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 |
|---|
| 3CO9_3MS_B_579 | 81% | 20% | 0.119 | 0.972 | 1.97 | 1.57 | 4 | 8 | 0 | 0 | 100% | 1 |
| 3CO9_3MS_A_579 | 76% | 17% | 0.131 | 0.967 | 1.87 | 1.95 | 4 | 9 | 0 | 0 | 100% | 1 |
