OTI: 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid
OTI is a Ligand Of Interest in 8I71 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 |
|---|
| 8I71_OTI_D_204 | 92% | 16% | 0.075 | 0.967 | 1.68 | 1.99 | 3 | 15 | 0 | 0 | 100% | 1 |
| 8I71_OTI_C_205 | 91% | 18% | 0.08 | 0.968 | 1.74 | 1.77 | 4 | 13 | 0 | 0 | 100% | 1 |
| 8I71_OTI_B_204 | 90% | 23% | 0.087 | 0.97 | 1.4 | 1.77 | 4 | 13 | 0 | 0 | 100% | 1 |
| 8I71_OTI_E_202 | 89% | 17% | 0.087 | 0.965 | 1.72 | 1.88 | 4 | 15 | 0 | 0 | 100% | 1 |
| 8I71_OTI_F_203 | 88% | 17% | 0.086 | 0.962 | 1.68 | 1.96 | 6 | 14 | 0 | 0 | 100% | 1 |
| 8I71_OTI_A_206 | 87% | 16% | 0.09 | 0.963 | 1.74 | 1.94 | 2 | 14 | 0 | 0 | 100% | 1 |
