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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] |
*** | 9ZD | 0.543 | 9ZA | 0.543 | WAQ | 0.500 | APK | 0.490 |
OOB | 0.490 | QA7 | 0.490 | 3UK | 0.480 | B5V | 0.480 | B5Y | 0.471 |
B5M | 0.471 |
Nrank | Protein | Nresidue | pdb_id+asym_id |
1 | PQSA_PSEAE Anthranilate--CoA ligase | 394 |
[3UK]:![]() ![]() ![]() ![]() ![]() ![]() ![]() |
2 | HINT1_HUMAN Histidine triad nucleotide-binding protein 1 | 115 |
[9ZA]:![]() ![]() ![]() ![]() |
3 | BIOW_BACSU 6-CARBOXYHEXANOATE-COA LIGASE | 251 |
[WAQ]:![]() ![]() ![]() ![]() |
4 | A0A140DJY3_9ACTN Salicylate-AMP ligase | 535 |
[OOB]:![]() ![]() ![]() ![]() |
5 | M5R382_9BACI Amino acid adenylation domain-containing protein | 551 |
[QA7]:![]() ![]() ![]() |
6 | Q93TK0_RHOPL Benzoate-coenzyme A ligase | 517 |
[OOB]:![]() ![]() |
7 | F3Y661_STIAU Anthranilate-CoA ligase | 516 |
[3UK]:![]() ![]() |