40 compounds in matrix
142 best compound-target hits listed
16 targets
• Combined reverse-docking score = 65% normalized docking-score estimator + 35% interaction-fingerprint component.
• When a native ligand exists for an experiment, the interaction-fingerprint component is driven by similarity to the native contact/H-bond pattern.
• When no native ligand exists, the interaction-fingerprint component falls back to contact richness within the experiment (normalized contacts and H-bonds).
Compounds × targets matrix
Each cell shows the best combined reverse-docking score found for that compound on that target. Blank cells mean no imported pose passed the current filters.
| Compound | Best | Mean | Targets | T01 | T02 | T03 | T05 | T07 | T08 | T09 | T11 | T14 | T15 | T16 | T17 | T18 | T19 | T20 | T22 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OSA_Lib_316 | 0.953 | 0.861 | 2 | 0.77 | 0.95 | ||||||||||||||
| OSA_Lib_304 | 0.920 | 0.891 | 3 | 0.87 | 0.88 | 0.92 | |||||||||||||
| OSA_Lib_303 | 0.916 | 0.871 | 3 | 0.85 | 0.85 | 0.92 | |||||||||||||
| OSA_Lib_313 | 0.906 | 0.883 | 2 | 0.86 | 0.91 | ||||||||||||||
| OSA_Lib_301 | 0.906 | 0.833 | 2 | 0.76 | 0.91 | ||||||||||||||
| OSA_Lib_302 | 0.900 | 0.856 | 3 | 0.85 | 0.82 | 0.90 | |||||||||||||
| OSA_Lib_326 | 0.897 | 0.897 | 1 | 0.90 | |||||||||||||||
| OSA_Lib_301 | 0.884 | 0.843 | 2 | 0.80 | 0.88 | ||||||||||||||
| OSA_Lib_371 | 0.876 | 0.876 | 1 | 0.88 | |||||||||||||||
| OSA_Lib_354 | 0.869 | 0.804 | 2 | 0.87 | 0.74 | ||||||||||||||
| OSA_Lib_301 | 0.866 | 0.840 | 4 | 0.87 | 0.86 | 0.86 | 0.77 | ||||||||||||
| OSA_Lib_306 | 0.864 | 0.819 | 4 | 0.84 | 0.86 | 0.81 | 0.76 | ||||||||||||
| OSA_Lib_316 | 0.863 | 0.837 | 5 | 0.82 | 0.86 | 0.84 | 0.86 | 0.81 | |||||||||||
| OSA_Lib_315 | 0.859 | 0.834 | 2 | 0.86 | 0.81 | ||||||||||||||
| OSA_Lib_371 | 0.858 | 0.858 | 1 | 0.86 | |||||||||||||||
| OSA_Lib_370 | 0.858 | 0.827 | 2 | 0.86 | 0.80 | ||||||||||||||
| OSA_Lib_370 | 0.857 | 0.837 | 2 | 0.86 | 0.82 | ||||||||||||||
| OSA_Lib_315 | 0.856 | 0.856 | 1 | 0.86 | |||||||||||||||
| OSA_Lib_315 | 0.855 | 0.855 | 1 | 0.86 | |||||||||||||||
| OSA_Lib_314 | 0.850 | 0.820 | 3 | 0.84 | 0.85 | 0.77 | |||||||||||||
| OSA_Lib_322 | 0.848 | 0.848 | 1 | 0.85 | |||||||||||||||
| OSA_Lib_303 | 0.847 | 0.806 | 2 | 0.76 | 0.85 | ||||||||||||||
| OSA_Lib_38 | 0.845 | 0.845 | 1 | 0.84 | |||||||||||||||
| OSA_Lib_305 | 0.844 | 0.844 | 1 | 0.84 | |||||||||||||||
| OSA_Lib_327 | 0.842 | 0.842 | 1 | 0.84 | |||||||||||||||
| OSA_Lib_302 | 0.841 | 0.841 | 1 | 0.84 | |||||||||||||||
| OSA_Lib_307 | 0.840 | 0.840 | 1 | 0.84 | |||||||||||||||
| OSA_Lib_316 | 0.839 | 0.806 | 2 | 0.77 | 0.84 | ||||||||||||||
| OSA_Lib_311 | 0.839 | 0.818 | 4 | 0.82 | 0.84 | 0.79 | 0.82 | ||||||||||||
| OSA_Lib_303 | 0.837 | 0.827 | 2 | 0.84 | 0.82 | ||||||||||||||
| OSA_Lib_316 | 0.836 | 0.836 | 1 | 0.84 | |||||||||||||||
| OSA_Lib_311 | 0.836 | 0.833 | 2 | 0.83 | 0.84 | ||||||||||||||
| OSA_Lib_37 | 0.836 | 0.836 | 1 | 0.84 | |||||||||||||||
| OSA_Lib_384 | 0.835 | 0.809 | 2 | 0.84 | 0.78 | ||||||||||||||
| OSA_Lib_313 | 0.835 | 0.835 | 1 | 0.83 | |||||||||||||||
| OSA_Lib_370 | 0.830 | 0.787 | 3 | 0.83 | 0.79 | 0.74 | |||||||||||||
| OSA_Lib_303 | 0.830 | 0.830 | 1 | 0.83 | |||||||||||||||
| OSA_Lib_374 | 0.830 | 0.830 | 1 | 0.83 | |||||||||||||||
| OSA_Lib_348 | 0.827 | 0.827 | 1 | 0.83 | |||||||||||||||
| OSA_Lib_349 | 0.827 | 0.780 | 2 | 0.83 | 0.73 |
Best compound-target hits
The score column is the combined reverse-docking score. The next two columns expose its components: normalized score-estimator and interaction fingerprint.
| Compound | Target | Experiment | Combined | Score part | IFP part | IFP mode | Metric | Dock score | Inter norm | Contacts | HB | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OSA_Lib_316 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -21.4711 | -0.634846 | 12 | 3 | Pose |
| OSA_Lib_304 | T17 native IFP available |
T17 selection_import_t17 |
0.920 | 1.000 | 0.772 | native_similarity | final_rank_score | -22.3285 | -0.752119 | 16 | 2 | Pose |
| OSA_Lib_303 | T17 native IFP available |
T17 selection_import_t17 |
0.916 | 1.000 | 0.761 | native_similarity | final_rank_score | -22.4553 | -0.805985 | 17 | 2 | Pose |
| OSA_Lib_313 | T17 native IFP available |
T17 selection_import_t17 |
0.906 | 1.000 | 0.732 | native_similarity | final_rank_score | -22.4596 | -0.531495 | 20 | 2 | Pose |
| OSA_Lib_301 | T17 native IFP available |
T17 selection_import_t17 |
0.906 | 1.000 | 0.732 | native_similarity | final_rank_score | -24.4009 | -0.860912 | 20 | 4 | Pose |
| OSA_Lib_302 | T17 native IFP available |
T17 selection_import_t17 |
0.900 | 1.000 | 0.714 | native_similarity | final_rank_score | -22.0201 | -0.784224 | 16 | 2 | Pose |
| OSA_Lib_326 | T01 native IFP available |
T01 selection_import_t01 |
0.897 | 1.000 | 0.704 | native_similarity | final_rank_score | -24.7193 | -0.957238 | 19 | 2 | Pose |
| OSA_Lib_301 | T22 native IFP available |
T22 selection_import_t22 |
0.884 | 1.000 | 0.669 | native_similarity | final_rank_score | -29.5763 | -0.997626 | 24 | 6 | Pose |
| OSA_Lib_304 | T02 native IFP available |
T02 selection_import_t02 |
0.882 | 1.000 | 0.662 | native_similarity | final_rank_score | -20.1928 | -0.918668 | 21 | 1 | Pose |
| OSA_Lib_371 | T18 native IFP available |
T18 selection_import_t18 |
0.876 | 1.000 | 0.646 | native_similarity | final_rank_score | -17.6505 | -0.541372 | 12 | 0 | Pose |
| OSA_Lib_304 | T01 native IFP available |
T01 selection_import_t01 |
0.871 | 1.000 | 0.630 | native_similarity | final_rank_score | -18.8402 | -0.903383 | 20 | 1 | Pose |
| OSA_Lib_354 | T15 native IFP available |
T15 selection_import_t15 |
0.869 | 1.000 | 0.625 | native_similarity | final_rank_score | -26.8287 | -0.762985 | 16 | 4 | Pose |
| OSA_Lib_301 | T02 native IFP available |
T02 selection_import_t02 |
0.866 | 1.000 | 0.617 | native_similarity | final_rank_score | -26.2468 | -0.885557 | 21 | 2 | Pose |
| OSA_Lib_306 | T03 native IFP available |
T03 selection_import_t03 |
0.864 | 1.000 | 0.611 | native_similarity | final_rank_score | -24.7326 | -0.813951 | 20 | 2 | Pose |
| OSA_Lib_301 | T03 native IFP available |
T03 selection_import_t03 |
0.864 | 1.000 | 0.611 | native_similarity | final_rank_score | -27.6313 | -0.943162 | 20 | 5 | Pose |
| OSA_Lib_316 | T09 native IFP available |
T09 selection_import_t09 |
0.863 | 1.000 | 0.607 | native_similarity | final_rank_score | -30.2859 | -1.02026 | 21 | 4 | Pose |
| OSA_Lib_315 | T01 native IFP available |
T01 selection_import_t01 |
0.859 | 1.000 | 0.599 | native_similarity | final_rank_score | -18.7646 | -0.744585 | 19 | 1 | Pose |
| OSA_Lib_313 | T03 native IFP available |
T03 selection_import_t03 |
0.859 | 1.000 | 0.597 | native_similarity | final_rank_score | -26.0231 | -0.652489 | 20 | 1 | Pose |
| OSA_Lib_371 | T11 native IFP available |
T11 selection_import_t11 |
0.858 | 1.000 | 0.596 | native_similarity | final_rank_score | -20.9201 | -0.620836 | 13 | 2 | Pose |
| OSA_Lib_370 | T11 native IFP available |
T11 selection_import_t11 |
0.858 | 1.000 | 0.596 | native_similarity | final_rank_score | -22.9533 | -0.631217 | 13 | 2 | Pose |
| OSA_Lib_370 | T18 native IFP available |
T18 selection_import_t18 |
0.857 | 1.000 | 0.592 | native_similarity | final_rank_score | -17.571 | -0.49314 | 11 | 0 | Pose |
| OSA_Lib_316 | T03 native IFP available |
T03 selection_import_t03 |
0.857 | 1.000 | 0.591 | native_similarity | final_rank_score | -27.9 | -0.961676 | 18 | 4 | Pose |
| OSA_Lib_301 | T09 native IFP available |
T09 selection_import_t09 |
0.856 | 1.000 | 0.589 | native_similarity | final_rank_score | -28.2136 | -0.921748 | 19 | 4 | Pose |
| OSA_Lib_315 | T11 native IFP available |
T11 selection_import_t11 |
0.856 | 1.000 | 0.588 | native_similarity | final_rank_score | -22.0822 | -0.684429 | 19 | 1 | Pose |
| OSA_Lib_315 | T02 native IFP available |
T02 selection_import_t02 |
0.855 | 1.000 | 0.586 | native_similarity | final_rank_score | -24.8402 | -0.789342 | 20 | 1 | Pose |
| OSA_Lib_314 | T02 native IFP available |
T02 selection_import_t02 |
0.850 | 1.000 | 0.570 | native_similarity | final_rank_score | -23.8436 | -0.625621 | 20 | 0 | Pose |
| OSA_Lib_303 | T01 native IFP available |
T01 selection_import_t01 |
0.848 | 1.000 | 0.567 | native_similarity | final_rank_score | -22.7872 | -0.899873 | 18 | 2 | Pose |
| OSA_Lib_303 | T02 native IFP available |
T02 selection_import_t02 |
0.848 | 1.000 | 0.567 | native_similarity | final_rank_score | -24.247 | -0.932011 | 18 | 2 | Pose |
| OSA_Lib_302 | T02 native IFP available |
T02 selection_import_t02 |
0.848 | 1.000 | 0.567 | native_similarity | final_rank_score | -23.8384 | -0.865402 | 18 | 2 | Pose |
| OSA_Lib_322 | T01 native IFP available |
T01 selection_import_t01 |
0.848 | 1.000 | 0.567 | native_similarity | final_rank_score | -24.6871 | -0.919843 | 17 | 2 | Pose |
| OSA_Lib_303 | T22 native IFP available |
T22 selection_import_t22 |
0.847 | 1.000 | 0.563 | native_similarity | final_rank_score | -29.7833 | -1.01216 | 20 | 4 | Pose |
| OSA_Lib_38 | T02 native IFP available |
T02 selection_import_t02 |
0.845 | 1.000 | 0.557 | native_similarity | final_rank_score | -13.0263 | -0.754798 | 21 | 1 | Pose |
| OSA_Lib_306 | T01 native IFP available |
T01 selection_import_t01 |
0.844 | 1.000 | 0.555 | native_similarity | final_rank_score | -25.0702 | -0.772726 | 19 | 1 | Pose |
| OSA_Lib_305 | T01 native IFP available |
T01 selection_import_t01 |
0.844 | 1.000 | 0.555 | native_similarity | final_rank_score | -23.182 | -0.783524 | 19 | 1 | Pose |
| OSA_Lib_327 | T07 native IFP available |
T07 selection_import_t07 |
0.842 | 1.000 | 0.548 | native_similarity | final_rank_score | -21.9531 | -1.12434 | 16 | 2 | Pose |
| OSA_Lib_302 | T03 native IFP available |
T03 selection_import_t03 |
0.841 | 1.000 | 0.546 | native_similarity | final_rank_score | -27.3562 | -0.906657 | 18 | 1 | Pose |
| OSA_Lib_307 | T15 native IFP available |
T15 selection_import_t15 |
0.840 | 1.000 | 0.544 | native_similarity | final_rank_score | -23.889 | -0.751778 | 17 | 2 | Pose |
| OSA_Lib_316 | T22 native IFP available |
T22 selection_import_t22 |
0.839 | 1.000 | 0.541 | native_similarity | final_rank_score | -30.7953 | -1.09573 | 22 | 5 | Pose |
| OSA_Lib_311 | T14 native IFP available |
T14 selection_import_t14 |
0.839 | 1.000 | 0.540 | native_similarity | final_rank_score | -20.612 | -0.455594 | 17 | 1 | Pose |
| OSA_Lib_314 | T01 native IFP available |
T01 selection_import_t01 |
0.838 | 1.000 | 0.539 | native_similarity | final_rank_score | -24.5038 | -0.627082 | 19 | 0 | Pose |
| OSA_Lib_316 | T05 native IFP available |
T05 selection_import_t05 |
0.838 | 1.000 | 0.537 | native_similarity | final_rank_score | -26.939 | -0.881218 | 17 | 4 | Pose |
| OSA_Lib_303 | T08 native IFP available |
T08 selection_import_t08 |
0.837 | 1.000 | 0.536 | native_similarity | final_rank_score | -24.1679 | -1.07778 | 17 | 3 | Pose |
| OSA_Lib_316 | T17 native IFP available |
T17 selection_import_t17 |
0.836 | 1.000 | 0.532 | native_similarity | final_rank_score | -24.3514 | -0.815062 | 20 | 3 | Pose |
| OSA_Lib_311 | T03 native IFP available |
T03 selection_import_t03 |
0.836 | 1.000 | 0.531 | native_similarity | final_rank_score | -20.3275 | -0.541225 | 18 | 0 | Pose |
| OSA_Lib_37 | T22 native IFP available |
T22 selection_import_t22 |
0.836 | 1.000 | 0.530 | native_similarity | final_rank_score | -15.4688 | -0.934311 | 23 | 11 | Pose |
| OSA_Lib_384 | T15 native IFP available |
T15 selection_import_t15 |
0.835 | 1.000 | 0.529 | native_similarity | final_rank_score | -22.5493 | -0.882413 | 14 | 5 | Pose |
| OSA_Lib_313 | T20 native IFP available |
T20 selection_import_t20 |
0.835 | 1.000 | 0.529 | native_similarity | final_rank_score | -20.5557 | -0.487617 | 14 | 3 | Pose |
| OSA_Lib_311 | T01 native IFP available |
T01 selection_import_t01 |
0.830 | 1.000 | 0.515 | native_similarity | final_rank_score | -24.268 | -0.522918 | 21 | 0 | Pose |
| OSA_Lib_370 | T01 native IFP available |
T01 selection_import_t01 |
0.830 | 1.000 | 0.515 | native_similarity | final_rank_score | -23.3409 | -0.652115 | 21 | 2 | Pose |
| OSA_Lib_303 | T03 native IFP available |
T03 selection_import_t03 |
0.830 | 1.000 | 0.513 | native_similarity | final_rank_score | -26.8425 | -0.981518 | 17 | 3 | Pose |
| OSA_Lib_374 | T03 native IFP available |
T03 selection_import_t03 |
0.830 | 1.000 | 0.513 | native_similarity | final_rank_score | -25.6557 | -0.737716 | 17 | 1 | Pose |
| OSA_Lib_348 | T01 native IFP available |
T01 selection_import_t01 |
0.827 | 1.000 | 0.507 | native_similarity | final_rank_score | -25.9581 | -0.809579 | 18 | 2 | Pose |
| OSA_Lib_349 | T01 native IFP available |
T01 selection_import_t01 |
0.827 | 1.000 | 0.507 | native_similarity | final_rank_score | -28.7439 | -0.833852 | 18 | 0 | Pose |
| OSA_Lib_305 | T03 native IFP available |
T03 selection_import_t03 |
0.827 | 1.000 | 0.507 | native_similarity | final_rank_score | -26.8159 | -0.822958 | 20 | 1 | Pose |
| OSA_Lib_302 | T08 native IFP available |
T08 selection_import_t08 |
0.824 | 1.000 | 0.498 | native_similarity | final_rank_score | -26.1517 | -1.07291 | 19 | 2 | Pose |
| OSA_Lib_33 | T22 native IFP available |
T22 selection_import_t22 |
0.824 | 1.000 | 0.496 | native_similarity | final_rank_score | -17.8134 | -0.835969 | 24 | 6 | Pose |
| OSA_Lib_376 | T01 native IFP available |
T01 selection_import_t01 |
0.823 | 1.000 | 0.495 | native_similarity | final_rank_score | -22.8682 | -0.975206 | 19 | 3 | Pose |
| OSA_Lib_35 | T01 native IFP available |
T01 selection_import_t01 |
0.823 | 1.000 | 0.495 | native_similarity | final_rank_score | -14.6673 | -0.802534 | 19 | 2 | Pose |
| OSA_Lib_301 | T01 native IFP available |
T01 selection_import_t01 |
0.823 | 1.000 | 0.495 | native_similarity | final_rank_score | -24.6784 | -0.868943 | 19 | 3 | Pose |
| OSA_Lib_311 | T09 native IFP available |
T09 selection_import_t09 |
0.823 | 1.000 | 0.495 | native_similarity | final_rank_score | -26.7988 | -0.543317 | 19 | 0 | Pose |
| OSA_Lib_316 | T02 native IFP available |
T02 selection_import_t02 |
0.820 | 1.000 | 0.486 | native_similarity | final_rank_score | -26.4296 | -0.95211 | 24 | 2 | Pose |
| OSA_Lib_38 | T22 native IFP available |
T22 selection_import_t22 |
0.819 | 1.000 | 0.484 | native_similarity | final_rank_score | -22.2277 | -1.01665 | 22 | 7 | Pose |
| OSA_Lib_359 | T01 native IFP available |
T01 selection_import_t01 |
0.819 | 1.000 | 0.484 | native_similarity | final_rank_score | -25.0011 | -0.818546 | 18 | 1 | Pose |
| OSA_Lib_302 | T09 native IFP available |
T09 selection_import_t09 |
0.819 | 1.000 | 0.483 | native_similarity | final_rank_score | -23.9015 | -0.922717 | 17 | 2 | Pose |
| OSA_Lib_35 | T22 native IFP available |
T22 selection_import_t22 |
0.819 | 1.000 | 0.482 | native_similarity | final_rank_score | -13.2879 | -0.986923 | 21 | 7 | Pose |
| OSA_Lib_31 | T22 native IFP available |
T22 selection_import_t22 |
0.819 | 1.000 | 0.482 | native_similarity | final_rank_score | -15.8447 | -1.01855 | 21 | 7 | Pose |
| OSA_Lib_382 | T15 native IFP available |
T15 selection_import_t15 |
0.818 | 1.000 | 0.481 | native_similarity | final_rank_score | -23.9028 | -0.888329 | 13 | 4 | Pose |
| OSA_Lib_39 | T22 native IFP available |
T22 selection_import_t22 |
0.818 | 1.000 | 0.481 | native_similarity | final_rank_score | -22.1349 | -0.895041 | 20 | 7 | Pose |
| OSA_Lib_370 | T20 native IFP available |
T20 selection_import_t20 |
0.817 | 1.000 | 0.478 | native_similarity | final_rank_score | -18.4186 | -0.449873 | 12 | 1 | Pose |
| OSA_Lib_303 | T09 native IFP available |
T09 selection_import_t09 |
0.816 | 1.000 | 0.475 | native_similarity | final_rank_score | -26.0227 | -0.880941 | 17 | 1 | Pose |
| OSA_Lib_304 | T09 native IFP available |
T09 selection_import_t09 |
0.816 | 1.000 | 0.475 | native_similarity | final_rank_score | -24.8771 | -0.878783 | 17 | 1 | Pose |
| OSA_Lib_311 | T16 native IFP available |
T16 selection_import_t16 |
0.815 | 1.000 | 0.472 | native_similarity | final_rank_score | -25.1692 | -0.508086 | 16 | 1 | Pose |
| OSA_Lib_315 | T15 native IFP available |
T15 selection_import_t15 |
0.812 | 1.000 | 0.463 | native_similarity | final_rank_score | -23.7311 | -0.699822 | 19 | 2 | Pose |
| OSA_Lib_315 | T09 native IFP available |
T09 selection_import_t09 |
0.809 | 1.000 | 0.454 | native_similarity | final_rank_score | -25.7204 | -0.75288 | 19 | 1 | Pose |
| OSA_Lib_306 | T15 native IFP available |
T15 selection_import_t15 |
0.809 | 1.000 | 0.453 | native_similarity | final_rank_score | -24.3593 | -0.739339 | 15 | 1 | Pose |
| OSA_Lib_305 | T15 native IFP available |
T15 selection_import_t15 |
0.809 | 1.000 | 0.453 | native_similarity | final_rank_score | -24.6348 | -0.742144 | 15 | 2 | Pose |
| OSA_Lib_3 | T16 native IFP available |
T16 selection_import_t16 |
0.807 | 1.000 | 0.450 | native_similarity | final_rank_score | -24.0868 | -0.866242 | 13 | 2 | Pose |
| OSA_Lib_316 | T11 native IFP available |
T11 selection_import_t11 |
0.807 | 1.000 | 0.450 | native_similarity | final_rank_score | -24.6775 | -0.938418 | 20 | 2 | Pose |
| OSA_Lib_33 | T02 native IFP available |
T02 selection_import_t02 |
0.806 | 1.000 | 0.445 | native_similarity | final_rank_score | -14.8216 | -0.72719 | 20 | 1 | Pose |
| OSA_Lib_304 | T08 native IFP available |
T08 selection_import_t08 |
0.805 | 1.000 | 0.442 | native_similarity | final_rank_score | -31.9513 | -1.09423 | 16 | 1 | Pose |
| OSA_Lib_395 | T16 native IFP available |
T16 selection_import_t16 |
0.803 | 1.000 | 0.437 | native_similarity | final_rank_score | -22.6232 | -0.841051 | 14 | 4 | Pose |
| OSA_Lib_315 | T03 native IFP available |
T03 selection_import_t03 |
0.802 | 1.000 | 0.434 | native_similarity | final_rank_score | -26.8666 | -0.851756 | 19 | 1 | Pose |
| OSA_Lib_355 | T07 native IFP available |
T07 selection_import_t07 |
0.801 | 1.000 | 0.431 | native_similarity | final_rank_score | -27.2864 | -1.01364 | 17 | 1 | Pose |
| OSA_Lib_316 | T08 native IFP available |
T08 selection_import_t08 |
0.801 | 1.000 | 0.431 | native_similarity | final_rank_score | -30.1842 | -1.04391 | 17 | 1 | Pose |
| OSA_Lib_301 | T08 native IFP available |
T08 selection_import_t08 |
0.801 | 1.000 | 0.431 | native_similarity | final_rank_score | -29.086 | -1.04159 | 17 | 1 | Pose |
| OSA_Lib_33 | T15 native IFP available |
T15 selection_import_t15 |
0.797 | 1.000 | 0.421 | native_similarity | final_rank_score | -20.9209 | -0.646444 | 18 | 1 | Pose |
| OSA_Lib_378 | T15 native IFP available |
T15 selection_import_t15 |
0.797 | 1.000 | 0.419 | native_similarity | final_rank_score | -21.6588 | -0.808638 | 13 | 3 | Pose |
| OSA_Lib_314 | T09 native IFP available |
T09 selection_import_t09 |
0.795 | 1.000 | 0.415 | native_similarity | final_rank_score | -23.5758 | -0.620625 | 19 | 1 | Pose |
| OSA_Lib_316 | T16 native IFP available |
T16 selection_import_t16 |
0.795 | 1.000 | 0.414 | native_similarity | final_rank_score | -22.6266 | -0.803506 | 16 | 3 | Pose |
| OSA_Lib_370 | T16 native IFP available |
T16 selection_import_t16 |
0.795 | 1.000 | 0.414 | native_similarity | final_rank_score | -20.5489 | -0.568221 | 16 | 1 | Pose |
| OSA_Lib_370 | T03 native IFP available |
T03 selection_import_t03 |
0.794 | 1.000 | 0.412 | native_similarity | final_rank_score | -23.6865 | -0.651185 | 17 | 0 | Pose |
| OSA_Lib_301 | T14 native IFP available |
T14 selection_import_t14 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -23.8427 | -0.761916 | 10 | 3 | Pose |
| OSA_Lib_311 | T15 native IFP available |
T15 selection_import_t15 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -24.0733 | -0.498436 | 14 | 1 | Pose |
| OSA_Lib_394 | T15 native IFP available |
T15 selection_import_t15 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -24.2837 | -0.875946 | 14 | 6 | Pose |
| OSA_Lib_315 | T18 native IFP available |
T18 selection_import_t18 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -22.5568 | -0.582632 | 14 | 2 | Pose |
| OSA_Lib_38 | T18 native IFP available |
T18 selection_import_t18 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -15.2131 | -0.635428 | 14 | 4 | Pose |
| OSA_Lib_371 | T16 native IFP available |
T16 selection_import_t16 |
0.792 | 1.000 | 0.405 | native_similarity | final_rank_score | -20.133 | -0.599012 | 17 | 2 | Pose |
| OSA_Lib_378 | T16 native IFP available |
T16 selection_import_t16 |
0.790 | 1.000 | 0.400 | native_similarity | final_rank_score | -25.5585 | -0.780713 | 12 | 3 | Pose |
| OSA_Lib_396 | T03 native IFP available |
T03 selection_import_t03 |
0.787 | 1.000 | 0.392 | native_similarity | final_rank_score | -24.9603 | -0.823624 | 12 | 4 | Pose |
| OSA_Lib_301 | T15 native IFP available |
T15 selection_import_t15 |
0.786 | 1.000 | 0.388 | native_similarity | final_rank_score | -28.6776 | -0.978889 | 16 | 2 | Pose |
| OSA_Lib_313 | T15 native IFP available |
T15 selection_import_t15 |
0.786 | 1.000 | 0.388 | native_similarity | final_rank_score | -22.0129 | -0.582439 | 16 | 1 | Pose |
| OSA_Lib_382 | T16 native IFP available |
T16 selection_import_t16 |
0.782 | 1.000 | 0.378 | native_similarity | final_rank_score | -23.2099 | -0.865006 | 14 | 4 | Pose |
| OSA_Lib_384 | T16 native IFP available |
T16 selection_import_t16 |
0.782 | 1.000 | 0.378 | native_similarity | final_rank_score | -22.6255 | -0.89884 | 14 | 5 | Pose |
| OSA_Lib_327 | T15 native IFP available |
T15 selection_import_t15 |
0.780 | 1.000 | 0.373 | native_similarity | final_rank_score | -24.2739 | -0.89986 | 12 | 3 | Pose |
| OSA_Lib_328 | T15 native IFP available |
T15 selection_import_t15 |
0.780 | 1.000 | 0.373 | native_similarity | final_rank_score | -25.106 | -0.918974 | 12 | 2 | Pose |
| OSA_Lib_316 | T14 native IFP available |
T14 selection_import_t14 |
0.780 | 1.000 | 0.372 | native_similarity | final_rank_score | -18.5636 | -0.686235 | 14 | 4 | Pose |
| OSA_Lib_317 | T16 native IFP available |
T16 selection_import_t16 |
0.779 | 1.000 | 0.368 | native_similarity | final_rank_score | -23.9043 | -0.837183 | 15 | 3 | Pose |
| OSA_Lib_322 | T15 native IFP available |
T15 selection_import_t15 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -23.8115 | -0.87151 | 13 | 2 | Pose |
| OSA_Lib_399 | T15 native IFP available |
T15 selection_import_t15 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -24.9889 | -0.841 | 13 | 2 | Pose |
| OSA_Lib_321 | T15 native IFP available |
T15 selection_import_t15 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -23.8296 | -0.851587 | 13 | 2 | Pose |
| OSA_Lib_329 | T15 native IFP available |
T15 selection_import_t15 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -23.5126 | -0.849087 | 13 | 2 | Pose |
| OSA_Lib_333 | T15 native IFP available |
T15 selection_import_t15 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -22.0136 | -0.866189 | 13 | 2 | Pose |
| OSA_Lib_3 | T15 native IFP available |
T15 selection_import_t15 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -25.7167 | -0.924992 | 13 | 2 | Pose |
| OSA_Lib_326 | T15 native IFP available |
T15 selection_import_t15 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -28.4166 | -1.02551 | 13 | 5 | Pose |
| OSA_Lib_306 | T18 native IFP available |
T18 selection_import_t18 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -19.2691 | -0.638909 | 13 | 2 | Pose |
| OSA_Lib_301 | T18 native IFP available |
T18 selection_import_t18 |
0.774 | 1.000 | 0.353 | native_similarity | final_rank_score | -22.2052 | -0.754589 | 14 | 2 | Pose |
| OSA_Lib_316 | T18 native IFP available |
T18 selection_import_t18 |
0.774 | 1.000 | 0.353 | native_similarity | final_rank_score | -19.9757 | -0.732981 | 14 | 6 | Pose |
| OSA_Lib_314 | T16 native IFP available |
T16 selection_import_t16 |
0.773 | 1.000 | 0.352 | native_similarity | final_rank_score | -21.3162 | -0.543888 | 17 | 1 | Pose |
| OSA_Lib_363 | T11 native IFP available |
T11 selection_import_t11 |
0.770 | 1.000 | 0.344 | native_similarity | final_rank_score | -23.5 | -0.74781 | 19 | 1 | Pose |
| OSA_Lib_379 | T16 native IFP available |
T16 selection_import_t16 |
0.769 | 1.000 | 0.340 | native_similarity | final_rank_score | -20.5589 | -0.842899 | 12 | 3 | Pose |
| OSA_Lib_322 | T16 native IFP available |
T16 selection_import_t16 |
0.769 | 1.000 | 0.340 | native_similarity | final_rank_score | -25.0488 | -0.904449 | 12 | 3 | Pose |
| OSA_Lib_323 | T16 native IFP available |
T16 selection_import_t16 |
0.769 | 1.000 | 0.340 | native_similarity | final_rank_score | -22.7501 | -0.888412 | 12 | 3 | Pose |
| OSA_Lib_330 | T16 native IFP available |
T16 selection_import_t16 |
0.769 | 1.000 | 0.340 | native_similarity | final_rank_score | -18.7939 | -0.869186 | 12 | 3 | Pose |
| OSA_Lib_315 | T17 native IFP available |
T17 selection_import_t17 |
0.769 | 1.000 | 0.339 | native_similarity | final_rank_score | -22.5138 | -0.639606 | 19 | 1 | Pose |
| OSA_Lib_316 | T15 native IFP available |
T15 selection_import_t15 |
0.768 | 1.000 | 0.337 | native_similarity | final_rank_score | -25.7562 | -0.853496 | 16 | 3 | Pose |
| OSA_Lib_321 | T16 native IFP available |
T16 selection_import_t16 |
0.766 | 1.000 | 0.331 | native_similarity | final_rank_score | -23.9247 | -0.82906 | 13 | 2 | Pose |
| OSA_Lib_328 | T16 native IFP available |
T16 selection_import_t16 |
0.766 | 1.000 | 0.331 | native_similarity | final_rank_score | -21.2523 | -0.843217 | 13 | 2 | Pose |
| OSA_Lib_326 | T16 native IFP available |
T16 selection_import_t16 |
0.766 | 1.000 | 0.331 | native_similarity | final_rank_score | -25.406 | -0.929888 | 13 | 4 | Pose |
| OSA_Lib_303 | T11 native IFP available |
T11 selection_import_t11 |
0.764 | 1.000 | 0.327 | native_similarity | final_rank_score | -22.1851 | -0.8127 | 17 | 1 | Pose |
| OSA_Lib_302 | T11 native IFP available |
T11 selection_import_t11 |
0.764 | 1.000 | 0.327 | native_similarity | final_rank_score | -22.519 | -0.80885 | 17 | 0 | Pose |
| OSA_Lib_306 | T16 native IFP available |
T16 selection_import_t16 |
0.760 | 1.000 | 0.315 | native_similarity | final_rank_score | -22.9119 | -0.703428 | 15 | 2 | Pose |
| OSA_Lib_304 | T16 native IFP available |
T16 selection_import_t16 |
0.760 | 1.000 | 0.315 | native_similarity | final_rank_score | -28.1443 | -0.902055 | 15 | 4 | Pose |
| OSA_Lib_301 | T16 native IFP available |
T16 selection_import_t16 |
0.760 | 1.000 | 0.315 | native_similarity | final_rank_score | -24.5932 | -0.836428 | 15 | 4 | Pose |
| OSA_Lib_303 | T16 native IFP available |
T16 selection_import_t16 |
0.758 | 1.000 | 0.308 | native_similarity | final_rank_score | -23.5688 | -0.837185 | 16 | 3 | Pose |
| OSA_Lib_304 | T11 native IFP available |
T11 selection_import_t11 |
0.749 | 1.000 | 0.283 | native_similarity | final_rank_score | -23.1886 | -0.820765 | 18 | 3 | Pose |
| OSA_Lib_355 | T19 native IFP available |
T19 selection_import_t19 |
0.746 | 1.000 | 0.274 | native_similarity | final_rank_score | -32.9123 | -1.13357 | 21 | 3 | Pose |
| OSA_Lib_394 | T11 native IFP available |
T11 selection_import_t11 |
0.741 | 1.000 | 0.261 | native_similarity | final_rank_score | -24.8054 | -0.83167 | 15 | 3 | Pose |
| OSA_Lib_395 | T17 native IFP available |
T17 selection_import_t17 |
0.741 | 1.000 | 0.259 | native_similarity | final_rank_score | -21.5682 | -0.829567 | 16 | 6 | Pose |
| OSA_Lib_354 | T19 native IFP available |
T19 selection_import_t19 |
0.738 | 1.000 | 0.253 | native_similarity | final_rank_score | -31.7149 | -1.04318 | 20 | 2 | Pose |
| OSA_Lib_370 | T17 native IFP available |
T17 selection_import_t17 |
0.736 | 1.000 | 0.246 | native_similarity | final_rank_score | -20.1388 | -0.537877 | 19 | 1 | Pose |
| OSA_Lib_349 | T19 native IFP available |
T19 selection_import_t19 |
0.732 | 1.000 | 0.234 | native_similarity | final_rank_score | -30.8494 | -1.00488 | 21 | 3 | Pose |
| OSA_Lib_356 | T19 native IFP available |
T19 selection_import_t19 |
0.732 | 1.000 | 0.234 | native_similarity | final_rank_score | -32.9785 | -1.20496 | 21 | 1 | Pose |