Table 2. IsoCleft Finder results for 2re3 sorted in decreasing order of Tanimoto Score of Similarity.
| Target | Atoms in Common | Similarity | |||||
|---|---|---|---|---|---|---|---|
| PDB | Ligand | N c 1 | Z-score | p-value | TSS 2 | Z-score | p-value |
| 1pwh | PLV | 37 | 3.25 | 2.73E-02 | 0.257 | 3.39 | 2.29E-02 |
| 2amq | 3IH | 39 | 3.59 | 1.77E-02 | 0.235 | 2.77 | 4.95E-02 |
| 1dm3 | ACO | 36 | 3.08 | 3.39E-02 | 0.232 | 2.69 | 5.49E-02 |
| 1hwy | NAD | 36 | 3.08 | 3.39E-02 | 0.220 | 2.36 | 8.29E-02 |
| 1q6p | 213 | 35 | 2.90 | 4.20E-02 | 0.213 | 2.16 | 1.05E-01 |
| 1dqa | NAP | 36 | 3.08 | 3.39E-02 | 0.211 | 2.11 | 1.12E-01 |
| 2vfs | FAD | 35 | 2.90 | 4.20E-02 | 0.183 | 1.33 | 2.77E-01 |
| 1gpe | FAD | 36 | 3.08 | 3.39E-02 | 0.182 | 1.30 | 2.85E-01 |
| 1v0j | FAD | 36 | 3.08 | 3.39E-02 | 0.178 | 1.19 | 3.31E-01 |
| 1coy | FAD | 35 | 2.90 | 4.20E-02 | 0.178 | 1.19 | 3.21E-01 |
1 Number of atoms in common.
2 Tanimoto Score of Similarity.