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[DKCOMBU] |
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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] |
*** | 0TX | 1.000 | CLQ | 1.000 | QUN | 0.786 | QUM | 0.733 |
1O8 | 0.630 | CQA | 0.621 | E2C | 0.621 | 29V | 0.607 | 2VR | 0.607 |
2VP | 0.607 |
Nrank | Protein | Nresidue | pdb_id+asym_id |
1 | NQO2_HUMAN Ribosyldihydronicotinamide dehydrogenase [quinone] | 230 |
[0TX]:![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
2 | TYTR_TRYCR TRYPANOTHIONE REDUCTASE (OXIDIZED FORM) | 485 |
[QUM]:![]() ![]() ![]() ![]() ![]() ![]() |
3 | SAP_HUMAN SAPOSIN-B | 78 |
[CLQ]:![]() ![]() ![]() ![]() ![]() ![]() |
4 | HNMT_HUMAN Histamine N-Methyltransferase | 280 |
[QUN]:![]() ![]() ![]() ![]() ![]() |
5 | Q6T755_PLAFA Phosphoethanolamine N-methyltransferase | 258 |
[CQA]:![]() ![]() ![]() ![]() |
6 | LDH1_PLAFD PROTEIN (L-LACTATE DEHYDROGENASE) | 305 |
[CLQ]:![]() ![]() ![]() ![]() |
7 | RXRA_HUMAN Retinoic acid receptor RXR-alpha | 214 |
[1O8]:![]() ![]() ![]() ![]() |
8 | A5K867_PLAVS Phosphoethanolamine N-methyltransferase, putative | 265 |
[CQA]:![]() |
9 | PIM1_HUMAN Serine/threonine-protein kinase pim-1 | 273 |
[E2C]:![]() |