EJP: (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile
EJP is a Ligand Of Interest in 6C4D 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 |
6C4D_EJP_D_1100 | 72% | 41% | 0.118 | 0.942 | 0.96 | 1.4 | 2 | 3 | 0 | 0 | 100% | 1 |
6C4D_EJP_C_1100 | 69% | 40% | 0.14 | 0.957 | 1.01 | 1.39 | 2 | 3 | 0 | 0 | 100% | 1 |
6C4D_EJP_B_1100 | 69% | 43% | 0.147 | 0.964 | 0.98 | 1.29 | 2 | 2 | 0 | 0 | 100% | 1 |
6C4D_EJP_A_1100 | 56% | 41% | 0.174 | 0.947 | 0.99 | 1.33 | 2 | 3 | 0 | 0 | 100% | 1 |