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| threshold chemical similarty (tanimoto coefficient) |
[0.5] [0.6] [0.7] [0.8] [0.9] [1.0] | max number of compounds | [1] [5] [10] [20] [30] [40] [50] |
| compound | similarity | compound | similarity | compound | similarity | compound | similarity | compound | similarity |
| query [2D] [3D] |
*** | A1AZM | 0.625 | TF3 | 0.588 | 4BO | 0.576 | 4BS | 0.562 |
| 4BQ | 0.559 | 5OK | 0.559 | 4PG | 0.548 | Y28 | 0.543 | 6H0 | 0.541 |
| A1D5F | 0.529 |
| Nrank | Protein | Nresidue | pdb_id+asym_id |
| 1 | A7YT55_DANRE Hdac6 protein | 355 |
[5OK]: 5efb_A_E
|
| 2 | Q5SWW9_HUMAN Plasminogen activator, urokinase | 247 |
[4PG]: 2r2w_A_C
|
| 3 | E6SHQ4_THEM7 Carboxylic ester hydrolase | 493 |
[A1D5F]: 8xrz_C_F
|
| 4 | KDM4A_HUMAN LYSINE-SPECIFIC DEMETHYLASE 4A | 346 |
[Y28]: 2wwj_A_E
[Y28]: 2wwj_B_H
|
| 5 | LKHA4_HUMAN Leukotriene A-4 hydrolase | 608 |
[4BO]: 3chp_A_F
[4BS]: 3chr_A_D
[4BQ]: 3chq_A_G
|
| 6 | PDK2_HUMAN PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | 359 |
[TF3]: 2bu7_A_B
[TF3]: 2bu7_A_B
[TF3]: 4v25_A_B
[TF3]: 4v25_A_B
[TF3]: 4v26_A_B
[TF3]: 4v26_A_B
[TF3]: 5m4k_A_B
[TF3]: 5m4m_A_C
[TF3]: 5m4n_A_C
[TF3]: 5m4p_A_C
[TF3]: 6tmp_A_D
[TF3]: 6tmq_A_B
[TF3]: 6tmz_A_B
[TF3]: 6tn0_A_B
[TF3]: 6tn2_A_B
[TF3]: 9m3r_A_C
[TF3]: 9m3r_A_C
[TF3]: 9m3t_A_B
[TF3]: 9m3t_A_B
[TF3]: 9m3u_A_E
[TF3]: 9m3u_A_E
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