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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] |
|
|||
[Back to HOMCOS] |
[DKCOMBU] |
[help] |
[show] [download] |
| 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]: 4fgk_A_D [0TX]:4fgk_A_F [0TX]:4fgk_B_D [0TX]:4fgk_B_F [CLQ]:4fgl_A_G [CLQ]:4fgl_A_J [CLQ]:4fgl_B_G [CLQ]:4fgl_B_J [CLQ]:4fgl_C_M [CLQ]:4fgl_C_P [CLQ]:4fgl_D_M [CLQ]:4fgl_D_Q [CLQ]:4fgl_D_P
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| 2 | TYTR_TRYCR TRYPANOTHIONE REDUCTASE (OXIDIZED FORM) | 485 |
[QUM]:1gxf_A_E [QUM]:1gxf_A_F [QUM]:1gxf_A_I [QUM]:1gxf_B_F [QUM]:1gxf_B_I [QUM]:1gxf_B_H
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| 3 | SAP_HUMAN SAPOSIN-B | 78 |
[CLQ]:4v2o_A_E [CLQ]:4v2o_B_D [CLQ]:4v2o_B_D [CLQ]:4v2o_B_D [CLQ]:4v2o_B_D [CLQ]:4v2o_C_E
|
| 4 | HNMT_HUMAN Histamine N-Methyltransferase | 280 |
[QUN]:1jqe_A_D [CQA]:2aou_A_C [CQA]:2aou_A_D [CQA]:2aou_B_F [CQA]:2aou_B_E
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| 5 | Q6T755_PLAFA Phosphoethanolamine N-methyltransferase | 258 |
[CQA]:4fgz_A_C [CQA]:4fgz_A_D [CQA]:4fgz_B_G [CQA]:4fgz_B_H
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| 6 | LDH1_PLAFD PROTEIN (L-LACTATE DEHYDROGENASE) | 305 |
[CLQ]:1cet_A_B [CLQ]:1cet_A_B [CLQ]:1cet_A_B [CLQ]:1cet_A_B
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| 7 | RXRA_HUMAN Retinoic acid receptor RXR-alpha | 214 |
[1O8]:4k4j_A_C [29V]:4m8e_A_C [2VR]:4poh_A_C [2VP]:4poj_A_C
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| 8 | A5K867_PLAVS Phosphoethanolamine N-methyltransferase, putative | 265 |
[CQA]:4mwz_B_H
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| 9 | PIM1_HUMAN Serine/threonine-protein kinase pim-1 | 273 |
[E2C]:6l11_A_B
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