NCT: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE
NCT is a Ligand Of Interest in 7KHO designated by the Author
| Best-fitted instance in this entry |
| Other instances in this entry |
| Best-fitted instance in this entry |
| Best-fitted PDB instances with same target (top 5) |
| Best-fitted instance in this entry |
| Best-fitted PDB instances with different target (top 5) |
| 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 |
|---|
| 7KHO_NCT_D_501 | 46% | 49% | 0.186 | 0.923 | 1.25 | 0.72 | 1 | - | 1 | 0 | 100% | 1 |
| 7KHO_NCT_C_501 | 36% | 49% | 0.242 | 0.939 | 1.26 | 0.72 | 1 | - | 4 | 0 | 100% | 1 |
| 7KHO_NCT_B_501 | 28% | 46% | 0.247 | 0.901 | 1.21 | 0.89 | 1 | - | 5 | 0 | 100% | 1 |
| 7KHO_NCT_A_501 | 27% | 48% | 0.284 | 0.931 | 1.26 | 0.75 | 1 | - | 1 | 0 | 100% | 1 |
| 8DQ8_NCT_A_501 | 79% | 16% | 0.119 | 0.966 | 0.92 | 2.75 | - | 9 | 0 | 0 | 100% | 1 |
| 6C71_NCT_B_501 | 79% | 2% | 0.126 | 0.972 | 5.42 | 1.33 | 5 | 3 | 0 | 0 | 100% | 1 |
| 7KHN_NCT_A_502 | 44% | 50% | 0.211 | 0.939 | 1.26 | 0.69 | 1 | - | 2 | 0 | 100% | 1 |
| 5O87_NCT_G_601 | 80% | 52% | 0.126 | 0.974 | 0.69 | 1.17 | - | 1 | 1 | 0 | 100% | 1 |
| 7BNE_NCT_A_506 | 80% | 16% | 0.097 | 0.944 | 2.57 | 1.19 | 4 | 2 | 0 | 0 | 100% | 1 |
| 1P2Y_NCT_A_440 | 56% | 71% | 0.195 | 0.969 | 0.47 | 0.66 | - | - | 2 | 0 | 100% | 1 |
| 2YK1_NCT_H_300 | 54% | 46% | 0.17 | 0.934 | 0.74 | 1.33 | - | 1 | 0 | 0 | 100% | 1 |
