40 compounds in matrix
120 best compound-target hits listed
21 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 | T04 | T05 | T06 | T07 | T08 | T09 | T10 | T11 | T12 | T13 | T14 | T15 | T16 | T17 | T18 | T19 | T20 | T21 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OHD_Leishmania_372 | 0.939 | 0.863 | 2 | 0.79 | 0.94 | |||||||||||||||||||
| OHD_Leishmania_370 | 0.930 | 0.829 | 14 | 0.83 | 0.84 | 0.81 | 0.87 | 0.83 | 0.82 | 0.86 | 0.80 | 0.76 | 0.78 | 0.80 | 0.77 | 0.93 | 0.90 | |||||||
| OHD_Leishmania_356 | 0.922 | 0.878 | 2 | 0.83 | 0.92 | |||||||||||||||||||
| OHD_Leishmania_335 | 0.918 | 0.861 | 6 | 0.80 | 0.86 | 0.91 | 0.88 | 0.79 | 0.92 | |||||||||||||||
| OHD_Leishmania_380 | 0.917 | 0.846 | 18 | 0.89 | 0.88 | 0.92 | 0.86 | 0.82 | 0.81 | 0.83 | 0.85 | 0.85 | 0.88 | 0.85 | 0.85 | 0.78 | 0.83 | 0.80 | 0.75 | 0.89 | 0.90 | |||
| OHD_Leishmania_356 | 0.916 | 0.869 | 5 | 0.86 | 0.86 | 0.82 | 0.92 | 0.90 | ||||||||||||||||
| OHD_Leishmania_376 | 0.913 | 0.841 | 9 | 0.88 | 0.90 | 0.91 | 0.79 | 0.87 | 0.78 | 0.77 | 0.78 | 0.87 | ||||||||||||
| OHD_MAC_7 | 0.910 | 0.859 | 6 | 0.86 | 0.90 | 0.88 | 0.91 | 0.79 | 0.81 | |||||||||||||||
| OHD_Leishmania_346 | 0.908 | 0.830 | 6 | 0.75 | 0.81 | 0.87 | 0.85 | 0.78 | 0.91 | |||||||||||||||
| OHD_Leishmania_377 | 0.908 | 0.908 | 1 | 0.91 | ||||||||||||||||||||
| OHD_Leishmania_350 | 0.900 | 0.847 | 5 | 0.90 | 0.90 | 0.84 | 0.80 | 0.80 | ||||||||||||||||
| OHD_Leishmania_366 | 0.893 | 0.893 | 1 | 0.89 | ||||||||||||||||||||
| OHD_Leishmania_313 | 0.886 | 0.886 | 1 | 0.89 | ||||||||||||||||||||
| OHD_Leishmania_374 | 0.882 | 0.846 | 4 | 0.79 | 0.85 | 0.86 | 0.88 | |||||||||||||||||
| OHD_Leishmania_324 | 0.880 | 0.880 | 1 | 0.88 | ||||||||||||||||||||
| OHD_Leishmania_354 | 0.879 | 0.879 | 1 | 0.88 | ||||||||||||||||||||
| OHD_Leishmania_350 | 0.875 | 0.832 | 4 | 0.88 | 0.79 | 0.84 | 0.82 | |||||||||||||||||
| OHD_Leishmania_376 | 0.874 | 0.874 | 1 | 0.87 | ||||||||||||||||||||
| OHD_Leishmania_382 | 0.874 | 0.874 | 1 | 0.87 | ||||||||||||||||||||
| OHD_Leishmania_352 | 0.872 | 0.872 | 1 | 0.87 | ||||||||||||||||||||
| OHD_Leishmania_339 | 0.871 | 0.871 | 1 | 0.87 | ||||||||||||||||||||
| OHD_Leishmania_3 | 0.862 | 0.831 | 8 | 0.85 | 0.86 | 0.86 | 0.80 | 0.85 | 0.85 | 0.79 | 0.79 | |||||||||||||
| OHD_Leishmania_366 | 0.855 | 0.855 | 1 | 0.85 | ||||||||||||||||||||
| OHD_Leishmania_377 | 0.848 | 0.799 | 2 | 0.75 | 0.85 | |||||||||||||||||||
| OHD_Leishmania_347 | 0.846 | 0.846 | 1 | 0.85 | ||||||||||||||||||||
| OHD_Leishmania_329 | 0.845 | 0.845 | 1 | 0.84 | ||||||||||||||||||||
| OHD_Leishmania_372 | 0.839 | 0.791 | 3 | 0.76 | 0.78 | 0.84 | ||||||||||||||||||
| OHD_Leishmania_309 | 0.835 | 0.835 | 1 | 0.83 | ||||||||||||||||||||
| OHD_Leishmania_339 | 0.831 | 0.831 | 1 | 0.83 | ||||||||||||||||||||
| OHD_Leishmania_319 | 0.809 | 0.809 | 1 | 0.81 | ||||||||||||||||||||
| OHD_Leishmania_373 | 0.808 | 0.799 | 2 | 0.81 | 0.79 | |||||||||||||||||||
| OHD_Leishmania_333 | 0.805 | 0.805 | 1 | 0.81 | ||||||||||||||||||||
| OHD_Leishmania_347 | 0.793 | 0.793 | 1 | 0.79 | ||||||||||||||||||||
| OHD_Leishmania_313 | 0.785 | 0.785 | 1 | 0.79 | ||||||||||||||||||||
| OHD_Leishmania_351 | 0.782 | 0.782 | 1 | 0.78 | ||||||||||||||||||||
| OHD_Leishmania_371 | 0.774 | 0.774 | 1 | 0.77 | ||||||||||||||||||||
| OHD_Leishmania_393 | 0.758 | 0.758 | 1 | 0.76 | ||||||||||||||||||||
| OHD_Leishmania_350 | 0.743 | 0.743 | 1 | 0.74 | ||||||||||||||||||||
| OHD_Leishmania_31 | 0.732 | 0.732 | 1 | 0.73 | ||||||||||||||||||||
| OHD_Leishmania_341 | 0.726 | 0.726 | 1 | 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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OHD_Leishmania_372 | T12 native IFP available |
T12 selection_import_t12 |
0.939 | 1.000 | 0.826 | native_similarity | final_rank_score | -27.5791 | -1.04479 | 18 | 10 | Pose |
| OHD_Leishmania_370 | T20 native IFP available |
T20 selection_import_t20 |
0.930 | 1.000 | 0.800 | native_similarity | final_rank_score | -22.9581 | -0.580358 | 16 | 10 | Pose |
| OHD_Leishmania_356 | T20 native IFP available |
T20 selection_import_t20 |
0.922 | 1.000 | 0.778 | native_similarity | final_rank_score | -10.5927 | -0.562159 | 12 | 7 | Pose |
| OHD_Leishmania_335 | T21 native IFP available |
T21 selection_import_t21 |
0.918 | 1.000 | 0.765 | native_similarity | final_rank_score | -27.306 | -1.15859 | 15 | 10 | Pose |
| OHD_Leishmania_380 | T03 native IFP available |
T03 selection_import_t03 |
0.917 | 1.000 | 0.763 | native_similarity | final_rank_score | -29.5742 | -0.794213 | 21 | 8 | Pose |
| OHD_Leishmania_356 | T17 native IFP available |
T17 selection_import_t17 |
0.916 | 1.000 | 0.761 | native_similarity | final_rank_score | -17.5086 | -0.618121 | 17 | 4 | Pose |
| OHD_Leishmania_335 | T12 native IFP available |
T12 selection_import_t12 |
0.914 | 1.000 | 0.755 | native_similarity | final_rank_score | -25.3679 | -1.29213 | 17 | 11 | Pose |
| OHD_Leishmania_376 | T08 native IFP available |
T08 selection_import_t08 |
0.913 | 1.000 | 0.753 | native_similarity | final_rank_score | -33.8634 | -1.3032 | 17 | 6 | Pose |
| OHD_MAC_7 | T12 native IFP available |
T12 selection_import_t12 |
0.910 | 1.000 | 0.744 | native_similarity | final_rank_score | -22.5996 | -1.0181 | 16 | 8 | Pose |
| OHD_Leishmania_346 | T21 native IFP available |
T21 selection_import_t21 |
0.908 | 1.000 | 0.738 | native_similarity | final_rank_score | -24.5001 | -1.07097 | 18 | 5 | Pose |
| OHD_Leishmania_377 | T12 native IFP available |
T12 selection_import_t12 |
0.908 | 1.000 | 0.737 | native_similarity | final_rank_score | -23.311 | -0.883716 | 17 | 11 | Pose |
| OHD_MAC_7 | T06 native IFP available |
T06 selection_import_t06 |
0.904 | 1.000 | 0.727 | native_similarity | final_rank_score | -22.6379 | -0.966783 | 18 | 4 | Pose |
| OHD_Leishmania_370 | T21 native IFP available |
T21 selection_import_t21 |
0.902 | 1.000 | 0.719 | native_similarity | final_rank_score | -28.6314 | -0.672093 | 17 | 10 | Pose |
| OHD_Leishmania_376 | T05 native IFP available |
T05 selection_import_t05 |
0.900 | 1.000 | 0.715 | native_similarity | final_rank_score | -28.8385 | -1.14676 | 19 | 7 | Pose |
| OHD_Leishmania_350 | T01 native IFP available |
T01 selection_import_t01 |
0.900 | 1.000 | 0.715 | native_similarity | final_rank_score | -29.4509 | -1.01555 | 21 | 7 | Pose |
| OHD_Leishmania_350 | T02 native IFP available |
T02 selection_import_t02 |
0.900 | 1.000 | 0.715 | native_similarity | final_rank_score | -29.5932 | -1.02046 | 21 | 7 | Pose |
| OHD_Leishmania_380 | T21 native IFP available |
T21 selection_import_t21 |
0.897 | 1.000 | 0.706 | native_similarity | final_rank_score | -29.8084 | -0.771959 | 17 | 10 | Pose |
| OHD_Leishmania_356 | T21 native IFP available |
T21 selection_import_t21 |
0.897 | 1.000 | 0.705 | native_similarity | final_rank_score | -21.8866 | -0.762846 | 18 | 13 | Pose |
| OHD_Leishmania_366 | T06 native IFP available |
T06 selection_import_t06 |
0.893 | 1.000 | 0.695 | native_similarity | final_rank_score | -18.4096 | -0.747595 | 22 | 9 | Pose |
| OHD_Leishmania_380 | T20 native IFP available |
T20 selection_import_t20 |
0.890 | 1.000 | 0.685 | native_similarity | final_rank_score | -21.4762 | -0.575435 | 13 | 7 | Pose |
| OHD_Leishmania_380 | T01 native IFP available |
T01 selection_import_t01 |
0.887 | 1.000 | 0.677 | native_similarity | final_rank_score | -32.0325 | -0.797581 | 21 | 7 | Pose |
| OHD_Leishmania_313 | T03 native IFP available |
T03 selection_import_t03 |
0.886 | 1.000 | 0.675 | native_similarity | final_rank_score | -36.1292 | -0.617299 | 22 | 3 | Pose |
| OHD_MAC_7 | T07 native IFP available |
T07 selection_import_t07 |
0.883 | 1.000 | 0.667 | native_similarity | final_rank_score | -34.7747 | -1.59413 | 20 | 10 | Pose |
| OHD_Leishmania_335 | T13 native IFP available |
T13 selection_import_t13 |
0.883 | 1.000 | 0.665 | native_similarity | final_rank_score | -30.535 | -1.27654 | 17 | 6 | Pose |
| OHD_Leishmania_380 | T02 native IFP available |
T02 selection_import_t02 |
0.883 | 1.000 | 0.665 | native_similarity | final_rank_score | -25.1786 | -0.79296 | 20 | 11 | Pose |
| OHD_Leishmania_374 | T21 native IFP available |
T21 selection_import_t21 |
0.882 | 1.000 | 0.664 | native_similarity | final_rank_score | -25.8471 | -1.44424 | 17 | 14 | Pose |
| OHD_Leishmania_324 | T11 native IFP available |
T11 selection_import_t11 |
0.880 | 1.000 | 0.658 | native_similarity | final_rank_score | -23.7613 | -0.956726 | 15 | 2 | Pose |
| OHD_Leishmania_354 | T08 native IFP available |
T08 selection_import_t08 |
0.879 | 1.000 | 0.656 | native_similarity | final_rank_score | -27.7261 | -1.24285 | 17 | 9 | Pose |
| OHD_Leishmania_376 | T03 native IFP available |
T03 selection_import_t03 |
0.878 | 1.000 | 0.652 | native_similarity | final_rank_score | -30.1724 | -1.09051 | 17 | 6 | Pose |
| OHD_Leishmania_380 | T13 native IFP available |
T13 selection_import_t13 |
0.878 | 1.000 | 0.650 | native_similarity | final_rank_score | -30.0821 | -0.818637 | 18 | 11 | Pose |
| OHD_Leishmania_350 | T11 native IFP available |
T11 selection_import_t11 |
0.875 | 1.000 | 0.643 | native_similarity | final_rank_score | -26.3136 | -0.907364 | 16 | 3 | Pose |
| OHD_Leishmania_376 | T10 native IFP available |
T10 selection_import_t10 |
0.875 | 1.000 | 0.643 | native_similarity | final_rank_score | -21.0159 | -0.920544 | 15 | 12 | Pose |
| OHD_Leishmania_346 | T07 native IFP available |
T07 selection_import_t07 |
0.875 | 1.000 | 0.643 | native_similarity | final_rank_score | -28.8045 | -1.29256 | 17 | 8 | Pose |
| OHD_Leishmania_376 | T20 native IFP available |
T20 selection_import_t20 |
0.874 | 1.000 | 0.641 | native_similarity | final_rank_score | -21.6887 | -0.806911 | 10 | 5 | Pose |
| OHD_Leishmania_376 | T07 native IFP available |
T07 selection_import_t07 |
0.874 | 1.000 | 0.641 | native_similarity | final_rank_score | -32.028 | -1.21674 | 15 | 7 | Pose |
| OHD_Leishmania_382 | T03 native IFP available |
T03 selection_import_t03 |
0.874 | 1.000 | 0.639 | native_similarity | final_rank_score | -24.7367 | -0.742994 | 18 | 4 | Pose |
| OHD_Leishmania_352 | T02 native IFP available |
T02 selection_import_t02 |
0.872 | 1.000 | 0.635 | native_similarity | final_rank_score | -12.1707 | -0.709736 | 21 | 4 | Pose |
| OHD_Leishmania_339 | T11 native IFP available |
T11 selection_import_t11 |
0.871 | 1.000 | 0.630 | native_similarity | final_rank_score | -18.2883 | -0.611527 | 21 | 5 | Pose |
| OHD_Leishmania_370 | T05 native IFP available |
T05 selection_import_t05 |
0.869 | 1.000 | 0.624 | native_similarity | final_rank_score | -25.5734 | -0.703529 | 14 | 10 | Pose |
| OHD_Leishmania_335 | T07 native IFP available |
T07 selection_import_t07 |
0.863 | 1.000 | 0.608 | native_similarity | final_rank_score | -35.3418 | -1.49243 | 16 | 8 | Pose |
| OHD_Leishmania_3 | T03 native IFP available |
T03 selection_import_t03 |
0.862 | 1.000 | 0.605 | native_similarity | final_rank_score | -28.4082 | -0.975299 | 17 | 1 | Pose |
| OHD_MAC_7 | T05 native IFP available |
T05 selection_import_t05 |
0.860 | 1.000 | 0.600 | native_similarity | final_rank_score | -24.183 | -1.07531 | 16 | 8 | Pose |
| OHD_Leishmania_3 | T02 native IFP available |
T02 selection_import_t02 |
0.860 | 1.000 | 0.600 | native_similarity | final_rank_score | -27.9713 | -0.938475 | 18 | 2 | Pose |
| OHD_Leishmania_380 | T05 native IFP available |
T05 selection_import_t05 |
0.859 | 1.000 | 0.596 | native_similarity | final_rank_score | -24.3367 | -0.720039 | 16 | 8 | Pose |
| OHD_Leishmania_374 | T12 native IFP available |
T12 selection_import_t12 |
0.858 | 1.000 | 0.594 | native_similarity | final_rank_score | -27.3252 | -1.54229 | 17 | 13 | Pose |
| OHD_Leishmania_370 | T13 native IFP available |
T13 selection_import_t13 |
0.856 | 1.000 | 0.590 | native_similarity | final_rank_score | -24.6488 | -0.702536 | 24 | 9 | Pose |
| OHD_Leishmania_356 | T01 native IFP available |
T01 selection_import_t01 |
0.855 | 1.000 | 0.586 | native_similarity | final_rank_score | -24.971 | -0.772957 | 20 | 3 | Pose |
| OHD_Leishmania_356 | T02 native IFP available |
T02 selection_import_t02 |
0.855 | 1.000 | 0.586 | native_similarity | final_rank_score | -26.1341 | -0.804232 | 20 | 3 | Pose |
| OHD_Leishmania_374 | T05 native IFP available |
T05 selection_import_t05 |
0.855 | 1.000 | 0.586 | native_similarity | final_rank_score | -35.805 | -1.72801 | 13 | 9 | Pose |
| OHD_Leishmania_366 | T05 native IFP available |
T05 selection_import_t05 |
0.855 | 1.000 | 0.586 | native_similarity | final_rank_score | -15.4697 | -0.867665 | 13 | 12 | Pose |
| OHD_Leishmania_380 | T11 native IFP available |
T11 selection_import_t11 |
0.854 | 1.000 | 0.583 | native_similarity | final_rank_score | -21.2208 | -0.602508 | 13 | 5 | Pose |
| OHD_Leishmania_380 | T14 native IFP available |
T14 selection_import_t14 |
0.853 | 1.000 | 0.580 | native_similarity | final_rank_score | -25.5651 | -0.664103 | 12 | 8 | Pose |
| OHD_Leishmania_380 | T15 native IFP available |
T15 selection_import_t15 |
0.852 | 1.000 | 0.577 | native_similarity | final_rank_score | -25.2048 | -0.718582 | 15 | 10 | Pose |
| OHD_Leishmania_3 | T09 native IFP available |
T09 selection_import_t09 |
0.852 | 1.000 | 0.576 | native_similarity | final_rank_score | -29.5088 | -0.906528 | 20 | 1 | Pose |
| OHD_Leishmania_3 | T08 native IFP available |
T08 selection_import_t08 |
0.851 | 1.000 | 0.574 | native_similarity | final_rank_score | -32.9705 | -1.17383 | 12 | 9 | Pose |
| OHD_Leishmania_346 | T08 native IFP available |
T08 selection_import_t08 |
0.851 | 1.000 | 0.573 | native_similarity | final_rank_score | -31.136 | -1.3806 | 15 | 6 | Pose |
| OHD_Leishmania_3 | T01 native IFP available |
T01 selection_import_t01 |
0.848 | 1.000 | 0.567 | native_similarity | final_rank_score | -27.8165 | -0.948247 | 18 | 1 | Pose |
| OHD_Leishmania_377 | T20 native IFP available |
T20 selection_import_t20 |
0.848 | 1.000 | 0.567 | native_similarity | final_rank_score | -19.5063 | -0.608191 | 12 | 4 | Pose |
| OHD_Leishmania_380 | T12 native IFP available |
T12 selection_import_t12 |
0.846 | 1.000 | 0.560 | native_similarity | final_rank_score | -26.167 | -0.702973 | 19 | 8 | Pose |
| OHD_Leishmania_347 | T17 native IFP available |
T17 selection_import_t17 |
0.846 | 1.000 | 0.559 | native_similarity | final_rank_score | -23.6083 | -0.62562 | 16 | 3 | Pose |
| OHD_Leishmania_329 | T01 native IFP available |
T01 selection_import_t01 |
0.845 | 1.000 | 0.557 | native_similarity | final_rank_score | -25.6185 | -0.521369 | 21 | 1 | Pose |
| OHD_Leishmania_370 | T02 native IFP available |
T02 selection_import_t02 |
0.844 | 1.000 | 0.555 | native_similarity | final_rank_score | -27.2607 | -0.689121 | 19 | 6 | Pose |
| OHD_Leishmania_350 | T16 native IFP available |
T16 selection_import_t16 |
0.843 | 1.000 | 0.550 | native_similarity | final_rank_score | -24.4322 | -0.842488 | 15 | 4 | Pose |
| OHD_Leishmania_372 | T04 native IFP available |
T04 selection_import_t04 |
0.839 | 1.000 | 0.539 | native_similarity | final_rank_score | -20.3141 | -0.927348 | 13 | 3 | Pose |
| OHD_Leishmania_350 | T09 native IFP available |
T09 selection_import_t09 |
0.837 | 1.000 | 0.535 | native_similarity | final_rank_score | -26.4046 | -0.910505 | 20 | 1 | Pose |
| OHD_Leishmania_309 | T20 native IFP available |
T20 selection_import_t20 |
0.835 | 1.000 | 0.529 | native_similarity | final_rank_score | -22.4181 | -0.472135 | 14 | 2 | Pose |
| OHD_Leishmania_356 | T04 native IFP available |
T04 selection_import_t04 |
0.834 | 1.000 | 0.525 | native_similarity | final_rank_score | -19.6428 | -0.724132 | 11 | 3 | Pose |
| OHD_Leishmania_339 | T20 native IFP available |
T20 selection_import_t20 |
0.831 | 1.000 | 0.517 | native_similarity | final_rank_score | -20.1675 | -0.541146 | 10 | 8 | Pose |
| OHD_Leishmania_380 | T10 native IFP available |
T10 selection_import_t10 |
0.827 | 1.000 | 0.505 | native_similarity | final_rank_score | -21.8688 | -0.661154 | 14 | 6 | Pose |
| OHD_Leishmania_380 | T17 native IFP available |
T17 selection_import_t17 |
0.827 | 1.000 | 0.505 | native_similarity | final_rank_score | -26.4698 | -0.744562 | 17 | 11 | Pose |
| OHD_Leishmania_370 | T09 native IFP available |
T09 selection_import_t09 |
0.827 | 1.000 | 0.504 | native_similarity | final_rank_score | -25.5028 | -0.675101 | 19 | 5 | Pose |
| OHD_Leishmania_370 | T01 native IFP available |
T01 selection_import_t01 |
0.826 | 1.000 | 0.504 | native_similarity | final_rank_score | -23.7205 | -0.677449 | 18 | 12 | Pose |
| OHD_Leishmania_356 | T08 native IFP available |
T08 selection_import_t08 |
0.824 | 1.000 | 0.497 | native_similarity | final_rank_score | -29.4576 | -0.942471 | 16 | 7 | Pose |
| OHD_Leishmania_370 | T12 native IFP available |
T12 selection_import_t12 |
0.822 | 1.000 | 0.490 | native_similarity | final_rank_score | -23.8891 | -0.699987 | 14 | 11 | Pose |
| OHD_Leishmania_350 | T18 native IFP available |
T18 selection_import_t18 |
0.818 | 1.000 | 0.481 | native_similarity | final_rank_score | -24.8239 | -0.855997 | 13 | 1 | Pose |
| OHD_Leishmania_380 | T08 native IFP available |
T08 selection_import_t08 |
0.817 | 1.000 | 0.477 | native_similarity | final_rank_score | -31.8466 | -0.816862 | 16 | 6 | Pose |
| OHD_Leishmania_346 | T04 native IFP available |
T04 selection_import_t04 |
0.813 | 1.000 | 0.465 | native_similarity | final_rank_score | -19.339 | -1.00522 | 11 | 1 | Pose |
| OHD_Leishmania_380 | T09 native IFP available |
T09 selection_import_t09 |
0.810 | 1.000 | 0.456 | native_similarity | final_rank_score | -31.0091 | -0.864399 | 17 | 12 | Pose |
| OHD_MAC_7 | T18 native IFP available |
T18 selection_import_t18 |
0.809 | 1.000 | 0.453 | native_similarity | final_rank_score | -21.6728 | -0.776058 | 15 | 5 | Pose |
| OHD_Leishmania_319 | T18 native IFP available |
T18 selection_import_t18 |
0.809 | 1.000 | 0.453 | native_similarity | final_rank_score | -18.7766 | -0.759976 | 15 | 5 | Pose |
| OHD_Leishmania_373 | T04 native IFP available |
T04 selection_import_t04 |
0.808 | 1.000 | 0.452 | native_similarity | final_rank_score | -29.2728 | -1.26274 | 9 | 4 | Pose |
| OHD_Leishmania_370 | T03 native IFP available |
T03 selection_import_t03 |
0.807 | 1.000 | 0.449 | native_similarity | final_rank_score | -23.5725 | -0.664602 | 15 | 6 | Pose |
| OHD_Leishmania_333 | T02 native IFP available |
T02 selection_import_t02 |
0.805 | 1.000 | 0.443 | native_similarity | final_rank_score | -23.3544 | -0.891394 | 16 | 5 | Pose |
| OHD_Leishmania_370 | T17 native IFP available |
T17 selection_import_t17 |
0.804 | 1.000 | 0.439 | native_similarity | final_rank_score | -23.742 | -0.630551 | 19 | 8 | Pose |
| OHD_Leishmania_335 | T06 native IFP available |
T06 selection_import_t06 |
0.802 | 1.000 | 0.433 | native_similarity | final_rank_score | -20.8248 | -1.11862 | 17 | 4 | Pose |
| OHD_Leishmania_350 | T17 native IFP available |
T17 selection_import_t17 |
0.802 | 1.000 | 0.433 | native_similarity | final_rank_score | -25.1507 | -0.867403 | 20 | 7 | Pose |
| OHD_Leishmania_370 | T14 native IFP available |
T14 selection_import_t14 |
0.801 | 1.000 | 0.432 | native_similarity | final_rank_score | -27.5249 | -0.789091 | 14 | 9 | Pose |
| OHD_Leishmania_380 | T18 native IFP available |
T18 selection_import_t18 |
0.797 | 1.000 | 0.419 | native_similarity | final_rank_score | -25.9631 | -0.687709 | 13 | 8 | Pose |
| OHD_Leishmania_3 | T06 native IFP available |
T06 selection_import_t06 |
0.795 | 1.000 | 0.415 | native_similarity | final_rank_score | -23.0601 | -0.887327 | 19 | 1 | Pose |
| OHD_Leishmania_350 | T14 native IFP available |
T14 selection_import_t14 |
0.795 | 1.000 | 0.414 | native_similarity | final_rank_score | -21.8669 | -0.754031 | 12 | 5 | Pose |
| OHD_Leishmania_350 | T15 native IFP available |
T15 selection_import_t15 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -24.8503 | -0.856906 | 14 | 3 | Pose |
| OHD_Leishmania_3 | T18 native IFP available |
T18 selection_import_t18 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -21.2765 | -0.710854 | 14 | 3 | Pose |
| OHD_Leishmania_347 | T18 native IFP available |
T18 selection_import_t18 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -19.6396 | -0.555982 | 14 | 3 | Pose |
| OHD_Leishmania_374 | T04 native IFP available |
T04 selection_import_t04 |
0.791 | 1.000 | 0.402 | native_similarity | final_rank_score | -22.1641 | -1.51897 | 10 | 10 | Pose |
| OHD_MAC_7 | T14 native IFP available |
T14 selection_import_t14 |
0.790 | 1.000 | 0.400 | native_similarity | final_rank_score | -16.9858 | -0.821899 | 13 | 6 | Pose |
| OHD_Leishmania_373 | T14 native IFP available |
T14 selection_import_t14 |
0.790 | 1.000 | 0.400 | native_similarity | final_rank_score | -24.1006 | -1.24761 | 12 | 6 | Pose |
| OHD_Leishmania_335 | T14 native IFP available |
T14 selection_import_t14 |
0.789 | 1.000 | 0.398 | native_similarity | final_rank_score | -23.0522 | -1.0322 | 11 | 6 | Pose |
| OHD_Leishmania_376 | T09 native IFP available |
T09 selection_import_t09 |
0.788 | 1.000 | 0.394 | native_similarity | final_rank_score | -31.0336 | -1.0648 | 17 | 6 | Pose |
| OHD_Leishmania_372 | T08 native IFP available |
T08 selection_import_t08 |
0.787 | 1.000 | 0.392 | native_similarity | final_rank_score | -31.0828 | -1.27858 | 14 | 7 | Pose |
| OHD_Leishmania_3 | T20 native IFP available |
T20 selection_import_t20 |
0.786 | 1.000 | 0.388 | native_similarity | final_rank_score | -18.629 | -0.668109 | 7 | 3 | Pose |
| OHD_Leishmania_313 | T01 native IFP available |
T01 selection_import_t01 |
0.785 | 1.000 | 0.386 | native_similarity | final_rank_score | -24.108 | -0.584228 | 18 | 6 | Pose |
| OHD_Leishmania_376 | T18 native IFP available |
T18 selection_import_t18 |
0.785 | 1.000 | 0.385 | native_similarity | final_rank_score | -20.0158 | -0.834551 | 11 | 4 | Pose |
| OHD_Leishmania_376 | T14 native IFP available |
T14 selection_import_t14 |
0.782 | 1.000 | 0.378 | native_similarity | final_rank_score | -21.5439 | -0.851804 | 20 | 6 | Pose |
| OHD_Leishmania_370 | T16 native IFP available |
T16 selection_import_t16 |
0.782 | 1.000 | 0.378 | native_similarity | final_rank_score | -32.1088 | -0.835688 | 14 | 10 | Pose |
| OHD_Leishmania_351 | T18 native IFP available |
T18 selection_import_t18 |
0.782 | 1.000 | 0.377 | native_similarity | final_rank_score | -20.7323 | -1.03662 | 7 | 5 | Pose |
| OHD_Leishmania_346 | T14 native IFP available |
T14 selection_import_t14 |
0.781 | 1.000 | 0.376 | native_similarity | final_rank_score | -16.8599 | -0.940797 | 10 | 7 | Pose |
| OHD_Leishmania_372 | T02 native IFP available |
T02 selection_import_t02 |
0.777 | 1.000 | 0.363 | native_similarity | final_rank_score | -24.8738 | -0.970818 | 14 | 4 | Pose |
| OHD_Leishmania_380 | T16 native IFP available |
T16 selection_import_t16 |
0.776 | 1.000 | 0.360 | native_similarity | final_rank_score | -30.5918 | -0.803018 | 16 | 10 | Pose |
| OHD_Leishmania_371 | T14 native IFP available |
T14 selection_import_t14 |
0.774 | 1.000 | 0.356 | native_similarity | final_rank_score | -21.4105 | -0.738345 | 10 | 4 | Pose |
| OHD_Leishmania_370 | T18 native IFP available |
T18 selection_import_t18 |
0.774 | 1.000 | 0.353 | native_similarity | final_rank_score | -18.5786 | -0.513565 | 14 | 9 | Pose |
| OHD_Leishmania_376 | T15 native IFP available |
T15 selection_import_t15 |
0.771 | 1.000 | 0.345 | native_similarity | final_rank_score | -20.7969 | -0.900816 | 15 | 5 | Pose |
| OHD_Leishmania_393 | T01 native IFP available |
T01 selection_import_t01 |
0.758 | 1.000 | 0.310 | native_similarity | final_rank_score | -27.3486 | -0.788636 | 13 | 5 | Pose |
| OHD_Leishmania_370 | T15 native IFP available |
T15 selection_import_t15 |
0.758 | 1.000 | 0.309 | native_similarity | final_rank_score | -30.8126 | -0.815955 | 13 | 11 | Pose |
| OHD_Leishmania_372 | T01 native IFP available |
T01 selection_import_t01 |
0.756 | 1.000 | 0.303 | native_similarity | final_rank_score | -24.9873 | -0.988293 | 14 | 6 | Pose |
| OHD_Leishmania_380 | T19 native IFP available |
T19 selection_import_t19 |
0.755 | 1.000 | 0.299 | native_similarity | final_rank_score | -34.1568 | -0.927293 | 15 | 6 | Pose |
| OHD_Leishmania_377 | T17 native IFP available |
T17 selection_import_t17 |
0.750 | 1.000 | 0.287 | native_similarity | final_rank_score | -22.0454 | -0.760103 | 20 | 5 | Pose |
| OHD_Leishmania_346 | T03 native IFP available |
T03 selection_import_t03 |
0.750 | 1.000 | 0.287 | native_similarity | final_rank_score | -23.6127 | -1.10745 | 10 | 4 | Pose |
| OHD_Leishmania_350 | T20 native IFP available |
T20 selection_import_t20 |
0.743 | 1.000 | 0.264 | native_similarity | final_rank_score | -21.1371 | -0.728893 | 10 | 4 | Pose |
| OHD_Leishmania_31 | T19 native IFP available |
T19 selection_import_t19 |
0.732 | 1.000 | 0.234 | native_similarity | final_rank_score | -31.7166 | -1.08217 | 21 | 3 | Pose |
| OHD_Leishmania_341 | T19 native IFP available |
T19 selection_import_t19 |
0.726 | 1.000 | 0.218 | native_similarity | final_rank_score | -28.1621 | -1.42265 | 17 | 6 | Pose |