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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] |
*** | WG6 | 0.592 | WFR | 0.580 | 9ZD | 0.543 | 9ZA | 0.543 |
| WAQ | 0.500 | OOB | 0.490 | 3UK | 0.480 | C5Y | 0.480 | B5Y | 0.471 |
| B5M | 0.471 |
| Nrank | Protein | Nresidue | pdb_id+asym_id |
| 1 | Q9VCC6_DROME Long-chain fatty-acyl-CoA synthetase CG6178 | 534 |
[C5Y]: 7kyd_A_B
|
| 2 | CAC1D_HUMAN Voltage-dependent L-type calcium channel subunit alpha-1D | 1230 |
[WG6]: 8e5b_A_J
|
| 3 | CAC1C_HUMAN Voltage-dependent L-type calcium channel subunit alpha-1C | 1282 |
[WG6]: 8fhs_A_K
|
| 4 | F3Y661_STIAU Anthranilate-CoA ligase | 516 |
[3UK]: 4wv3_A_C
[3UK]: 4wv3_B_D
|
| 5 | Q93TK0_RHOPL Benzoate-coenzyme A ligase | 517 |
[OOB]: 4zjz_A_C
[OOB]: 4zjz_B_K
|
| 6 | CAC1S_RABIT Voltage-dependent L-type calcium channel subunit alpha-1S | 1105 |
[WFR]: 8e57_A_M
[WFR]: 8e58_A_M
|
| 7 | A0A140DJY3_9ACTN Salicylate-AMP ligase | 535 |
[OOB]: 5wm6_A_B
[B5M]: 5wm4_A_B
[B5Y]: 5wm5_A_B
|
| 8 | BIOW_BACSU 6-CARBOXYHEXANOATE-COA LIGASE | 251 |
[WAQ]: 5fll_A_C
[WAQ]: 5fll_B_G
[WAQ]: 5fm0_A_C
[WAQ]: 5fm0_B_J
|
| 9 | HINT1_HUMAN Histidine triad nucleotide-binding protein 1 | 115 |
[9ZA]: 5wa8_A_C
[9ZA]: 5wa8_B_C
[9ZD]: 5wa9_A_C
[9ZD]: 5wa9_B_C
|
| 10 | PQSA_PSEAE Anthranilate--CoA ligase | 394 |
[3UK]: 5oe3_A_E
[3UK]: 5oe3_B_M
[3UK]: 5oe3_C_T
[3UK]: 5oe3_D_Y
[3UK]: 5oe4_A_C
[3UK]: 5oe4_B_D
[3UK]: 5oe5_A_B
|