40 compounds in matrix
240 best compound-target hits listed
22 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 | T22 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1NJJ | 1.000 | 1.000 | 1 | 1.00 | |||||||||||||||||||||
| 2WOV | 1.000 | 1.000 | 1 | 1.00 | |||||||||||||||||||||
| 3CL9 | 1.000 | 1.000 | 1 | 1.00 | |||||||||||||||||||||
| 3CL9 | 1.000 | 1.000 | 1 | 1.00 | |||||||||||||||||||||
| 5OL0 | 1.000 | 1.000 | 1 | 1.00 | |||||||||||||||||||||
| 5S9T | 1.000 | 1.000 | 1 | 1.00 | |||||||||||||||||||||
| 5SD8 | 1.000 | 1.000 | 2 | 1.00 | 1.00 | ||||||||||||||||||||
| 6FXS | 1.000 | 1.000 | 2 | 1.00 | 1.00 | ||||||||||||||||||||
| 6FXW | 1.000 | 1.000 | 1 | 1.00 | |||||||||||||||||||||
| 7PXX | 1.000 | 1.000 | 1 | 1.00 | |||||||||||||||||||||
| 8RHT | 1.000 | 1.000 | 1 | 1.00 | |||||||||||||||||||||
| 9IFH | 1.000 | 1.000 | 1 | 1.00 | |||||||||||||||||||||
| RAB5A | 1.000 | 1.000 | 1 | 1.00 | |||||||||||||||||||||
| ligand | 1.000 | 1.000 | 1 | 1.00 | |||||||||||||||||||||
| OHD_Leishmania_127 | 1.000 | 0.949 | 5 | 0.89 | 0.95 | 0.91 | 1.00 | 1.00 | |||||||||||||||||
| KB_Leish_41 | 0.984 | 0.873 | 7 | 0.84 | 0.85 | 0.91 | 0.85 | 0.83 | 0.85 | 0.98 | |||||||||||||||
| ulfkktlib_1030 | 0.984 | 0.897 | 4 | 0.85 | 0.98 | 0.95 | 0.81 | ||||||||||||||||||
| NMT-TY0939 | 0.981 | 0.849 | 9 | 0.80 | 0.80 | 0.84 | 0.83 | 0.83 | 0.77 | 0.98 | 0.80 | 0.98 | |||||||||||||
| Z89541367 | 0.980 | 0.871 | 3 | 0.84 | 0.98 | 0.79 | |||||||||||||||||||
| Z49719002 | 0.979 | 0.836 | 9 | 0.83 | 0.80 | 0.83 | 0.84 | 0.92 | 0.98 | 0.81 | 0.73 | 0.77 | |||||||||||||
| NMT-TY0823 | 0.977 | 0.852 | 3 | 0.98 | 0.81 | 0.77 | |||||||||||||||||||
| NMT-TY0579 | 0.976 | 0.906 | 6 | 0.88 | 0.79 | 0.96 | 0.98 | 0.87 | 0.97 | ||||||||||||||||
| OHD_Babesia_62 | 0.974 | 0.876 | 7 | 0.87 | 0.86 | 0.84 | 0.97 | 0.89 | 0.90 | 0.80 | |||||||||||||||
| OHD_TB2022_42 | 0.974 | 0.876 | 7 | 0.83 | 0.83 | 0.97 | 0.90 | 0.91 | 0.92 | 0.76 | |||||||||||||||
| OHD_TB2022_44 | 0.974 | 0.848 | 10 | 0.85 | 0.84 | 0.80 | 0.97 | 0.90 | 0.93 | 0.78 | 0.77 | 0.73 | 0.89 | ||||||||||||
| MK24 | 0.972 | 0.882 | 5 | 0.82 | 0.80 | 0.97 | 0.93 | 0.89 | |||||||||||||||||
| Z19577747 | 0.972 | 0.876 | 7 | 0.86 | 0.94 | 0.89 | 0.78 | 0.75 | 0.97 | 0.94 | |||||||||||||||
| OHD_MAC_5 | 0.972 | 0.856 | 6 | 0.85 | 0.74 | 0.77 | 0.88 | 0.92 | 0.97 | ||||||||||||||||
| KB_chagas_92 | 0.972 | 0.849 | 5 | 0.82 | 0.85 | 0.86 | 0.75 | 0.97 | |||||||||||||||||
| KB_Leish_48 | 0.972 | 0.846 | 8 | 0.85 | 0.81 | 0.83 | 0.85 | 0.83 | 0.86 | 0.77 | 0.97 | ||||||||||||||
| NMT-TY0970 | 0.971 | 0.833 | 3 | 0.77 | 0.76 | 0.97 | |||||||||||||||||||
| OHD_TC1_184 | 0.970 | 0.970 | 1 | 0.97 | |||||||||||||||||||||
| OHD_TC1_185 | 0.970 | 0.923 | 3 | 0.87 | 0.93 | 0.97 | |||||||||||||||||||
| KB_Leish_101 | 0.969 | 0.856 | 3 | 0.89 | 0.71 | 0.97 | |||||||||||||||||||
| Z56779935 | 0.967 | 0.967 | 1 | 0.97 | |||||||||||||||||||||
| Z45635483 | 0.966 | 0.840 | 9 | 0.84 | 0.83 | 0.78 | 0.97 | 0.90 | 0.79 | 0.79 | 0.73 | 0.94 | |||||||||||||
| Z104482518 | 0.966 | 0.966 | 1 | 0.97 | |||||||||||||||||||||
| OHD_TB2022_22 | 0.966 | 0.881 | 13 | 0.80 | 0.86 | 0.90 | 0.92 | 0.97 | 0.92 | 0.91 | 0.91 | 0.88 | 0.91 | 0.75 | 0.82 | 0.90 | |||||||||
| KB_Leish_54 | 0.964 | 0.837 | 7 | 0.84 | 0.89 | 0.82 | 0.96 | 0.77 | 0.73 | 0.84 | |||||||||||||||
| Z1521554012 | 0.964 | 0.834 | 8 | 0.76 | 0.83 | 0.78 | 0.96 | 0.75 | 0.85 | 0.80 | 0.94 |
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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 9IFH | T20 native IFP available |
T20 selection_import_t20 |
1.000 | - | 1.000 | native_similarity | - | - | - | 8 | 2 | Pose |
| 5S9T | T17 native IFP available |
T17 selection_import_t17 |
1.000 | - | 1.000 | native_similarity | - | - | - | 12 | 1 | Pose |
| 6FXS | T21 native IFP available |
T21 selection_import_t21 |
1.000 | - | 1.000 | native_similarity | - | - | - | 14 | 16 | Pose |
| 1NJJ | T14 native IFP available |
T14 selection_import_t14 |
1.000 | - | 1.000 | native_similarity | - | - | - | 15 | 7 | Pose |
| 6FXS | T12 native IFP available |
T12 selection_import_t12 |
1.000 | - | 1.000 | native_similarity | - | - | - | 16 | 16 | Pose |
| ligand | T05 native IFP available |
T05 selection_import_t05 |
1.000 | - | 1.000 | native_similarity | - | - | - | 17 | 9 | Pose |
| 6FXW | T10 native IFP available |
T10 selection_import_t10 |
1.000 | - | 1.000 | native_similarity | - | - | - | 17 | 16 | Pose |
| 5OL0 | T11 native IFP available |
T11 selection_import_t11 |
1.000 | - | 1.000 | native_similarity | - | - | - | 18 | 5 | Pose |
| 7PXX | T04 native IFP available |
T04 selection_import_t04 |
1.000 | - | 1.000 | native_similarity | - | - | - | 19 | 8 | Pose |
| OHD_Leishmania_127 | T07 native IFP available |
T07 selection_import_t07 |
1.000 | - | 1.000 | native_similarity | - | - | - | 19 | 6 | Pose |
| OHD_Leishmania_127 | T08 native IFP available |
T08 selection_import_t08 |
1.000 | - | 1.000 | native_similarity | - | - | - | 19 | 6 | Pose |
| 3CL9 | T03 native IFP available |
T03 selection_import_t03 |
1.000 | - | 1.000 | native_similarity | - | - | - | 20 | 9 | Pose |
| 5SD8 | T01 native IFP available |
T01 selection_import_t01 |
1.000 | - | 1.000 | native_similarity | - | - | - | 21 | 5 | Pose |
| 5SD8 | T02 native IFP available |
T02 selection_import_t02 |
1.000 | - | 1.000 | native_similarity | - | - | - | 21 | 5 | Pose |
| 8RHT | T06 native IFP available |
T06 selection_import_t06 |
1.000 | - | 1.000 | native_similarity | - | - | - | 21 | 6 | Pose |
| 3CL9 | T09 native IFP available |
T09 selection_import_t09 |
1.000 | - | 1.000 | native_similarity | - | - | - | 21 | 9 | Pose |
| RAB5A | T22 native IFP available |
T22 selection_import_t22 |
1.000 | - | 1.000 | native_similarity | - | - | - | 21 | 16 | Pose |
| 2WOV | T19 native IFP available |
T19 selection_import_t19 |
1.000 | - | 1.000 | native_similarity | - | - | - | 27 | 16 | Pose |
| KB_Leish_41 | T20 native IFP available |
T20 selection_import_t20 |
0.984 | 1.000 | 0.956 | native_similarity | final_rank_score | -16.016 | -0.633174 | 9 | 7 | Pose |
| ulfkktlib_1030 | T10 native IFP available |
T10 selection_import_t10 |
0.984 | 1.000 | 0.955 | native_similarity | final_rank_score | -18.3183 | -1.28581 | 17 | 15 | Pose |
| NMT-TY0939 | T10 native IFP available |
T10 selection_import_t10 |
0.981 | 1.000 | 0.945 | native_similarity | final_rank_score | -17.3373 | -0.989799 | 17 | 15 | Pose |
| Z89541367 | T17 native IFP available |
T17 selection_import_t17 |
0.980 | 1.000 | 0.943 | native_similarity | final_rank_score | -21.5816 | -0.849359 | 14 | 3 | Pose |
| Z49719002 | T12 native IFP available |
T12 selection_import_t12 |
0.979 | 1.000 | 0.940 | native_similarity | final_rank_score | -29.2551 | -1.66906 | 16 | 16 | Pose |
| NMT-TY0939 | T21 native IFP available |
T21 selection_import_t21 |
0.979 | 1.000 | 0.939 | native_similarity | final_rank_score | -24.4372 | -0.970214 | 15 | 16 | Pose |
| NMT-TY0823 | T06 native IFP available |
T06 selection_import_t06 |
0.977 | 1.000 | 0.933 | native_similarity | final_rank_score | -23.7482 | -1.21498 | 19 | 11 | Pose |
| NMT-TY0579 | T12 native IFP available |
T12 selection_import_t12 |
0.976 | 1.000 | 0.930 | native_similarity | final_rank_score | -23.3942 | -1.05304 | 16 | 15 | Pose |
| OHD_TB2022_44 | T06 native IFP available |
T06 selection_import_t06 |
0.974 | 1.000 | 0.925 | native_similarity | final_rank_score | -25.2304 | -1.30567 | 21 | 6 | Pose |
| OHD_Babesia_62 | T06 native IFP available |
T06 selection_import_t06 |
0.974 | 1.000 | 0.925 | native_similarity | final_rank_score | -27.1771 | -1.13474 | 21 | 5 | Pose |
| OHD_TB2022_42 | T06 native IFP available |
T06 selection_import_t06 |
0.974 | 1.000 | 0.925 | native_similarity | final_rank_score | -24.555 | -1.22995 | 21 | 6 | Pose |
| KB_chagas_92 | T20 native IFP available |
T20 selection_import_t20 |
0.972 | 1.000 | 0.920 | native_similarity | final_rank_score | -19.6221 | -0.565902 | 10 | 6 | Pose |
| KB_Leish_48 | T20 native IFP available |
T20 selection_import_t20 |
0.972 | 1.000 | 0.920 | native_similarity | final_rank_score | -16.7503 | -0.786201 | 10 | 5 | Pose |
| Z19577747 | T20 native IFP available |
T20 selection_import_t20 |
0.972 | 1.000 | 0.920 | native_similarity | final_rank_score | -10.3461 | -0.543323 | 10 | 5 | Pose |
| OHD_MAC_5 | T20 native IFP available |
T20 selection_import_t20 |
0.972 | 1.000 | 0.920 | native_similarity | final_rank_score | -12.2869 | -0.518654 | 10 | 7 | Pose |
| MK24 | T20 native IFP available |
T20 selection_import_t20 |
0.972 | 1.000 | 0.920 | native_similarity | final_rank_score | -13.2375 | -0.590291 | 10 | 6 | Pose |
| NMT-TY0970 | T21 native IFP available |
T21 selection_import_t21 |
0.971 | 1.000 | 0.916 | native_similarity | final_rank_score | -26.4134 | -0.936507 | 15 | 16 | Pose |
| NMT-TY0579 | T21 native IFP available |
T21 selection_import_t21 |
0.971 | 1.000 | 0.916 | native_similarity | final_rank_score | -22.589 | -0.929617 | 15 | 16 | Pose |
| OHD_TC1_185 | T21 native IFP available |
T21 selection_import_t21 |
0.970 | 1.000 | 0.915 | native_similarity | final_rank_score | -24.1889 | -1.13058 | 16 | 16 | Pose |
| OHD_TC1_184 | T21 native IFP available |
T21 selection_import_t21 |
0.970 | 1.000 | 0.915 | native_similarity | final_rank_score | -28.1641 | -1.19943 | 16 | 13 | Pose |
| KB_Leish_101 | T20 native IFP available |
T20 selection_import_t20 |
0.969 | 1.000 | 0.912 | native_similarity | final_rank_score | -22.6019 | -0.843529 | 7 | 5 | Pose |
| Z56779935 | T10 native IFP available |
T10 selection_import_t10 |
0.967 | 1.000 | 0.905 | native_similarity | final_rank_score | -25.4018 | -1.13773 | 18 | 16 | Pose |
| Z45635483 | T10 native IFP available |
T10 selection_import_t10 |
0.966 | 1.000 | 0.904 | native_similarity | final_rank_score | -26.4406 | -1.15028 | 16 | 13 | Pose |
| Z104482518 | T21 native IFP available |
T21 selection_import_t21 |
0.966 | 1.000 | 0.904 | native_similarity | final_rank_score | -22.7432 | -1.78513 | 15 | 11 | Pose |
| OHD_TB2022_22 | T06 native IFP available |
T06 selection_import_t06 |
0.966 | 1.000 | 0.902 | native_similarity | final_rank_score | -28.6914 | -1.01128 | 21 | 7 | Pose |
| Z1521554012 | T12 native IFP available |
T12 selection_import_t12 |
0.964 | 1.000 | 0.896 | native_similarity | final_rank_score | -22.5162 | -0.987943 | 17 | 16 | Pose |
| KB_Leish_54 | T12 native IFP available |
T12 selection_import_t12 |
0.964 | 1.000 | 0.896 | native_similarity | final_rank_score | -28.0949 | -1.18388 | 17 | 12 | Pose |
| NMT-TY0935 | T12 native IFP available |
T12 selection_import_t12 |
0.964 | 1.000 | 0.896 | native_similarity | final_rank_score | -30.5852 | -1.27 | 15 | 16 | Pose |
| Z88883356 | T10 native IFP available |
T10 selection_import_t10 |
0.964 | 1.000 | 0.896 | native_similarity | final_rank_score | -23.0081 | -1.12299 | 18 | 11 | Pose |
| ulfkktlib_400 | T12 native IFP available |
T12 selection_import_t12 |
0.963 | 1.000 | 0.896 | native_similarity | final_rank_score | -18.9978 | -1.43572 | 18 | 13 | Pose |
| NMT-TY0475 | T21 native IFP available |
T21 selection_import_t21 |
0.963 | 1.000 | 0.895 | native_similarity | final_rank_score | -21.3663 | -0.958639 | 17 | 14 | Pose |
| Z49558975 | T21 native IFP available |
T21 selection_import_t21 |
0.963 | 1.000 | 0.893 | native_similarity | final_rank_score | -23.7588 | -1.0456 | 16 | 12 | Pose |
| Z426041342 | T21 native IFP available |
T21 selection_import_t21 |
0.963 | 1.000 | 0.893 | native_similarity | final_rank_score | -20.354 | -0.929845 | 16 | 13 | Pose |
| MK132 | T21 native IFP available |
T21 selection_import_t21 |
0.963 | 1.000 | 0.893 | native_similarity | final_rank_score | -24.4043 | -0.86354 | 16 | 16 | Pose |
| MK220 | T20 native IFP available |
T20 selection_import_t20 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -18.3404 | -0.705542 | 11 | 7 | Pose |
| NMT-TY0957 | T20 native IFP available |
T20 selection_import_t20 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -24.0584 | -0.897972 | 11 | 9 | Pose |
| MK33 | T20 native IFP available |
T20 selection_import_t20 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -16.2823 | -0.604967 | 11 | 8 | Pose |
| KB_HAT_96 | T20 native IFP available |
T20 selection_import_t20 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -25.6744 | -0.629977 | 11 | 10 | Pose |
| TC342 | T20 native IFP available |
T20 selection_import_t20 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -19.2044 | -0.575422 | 11 | 8 | Pose |
| MK212 | T20 native IFP available |
T20 selection_import_t20 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -18.4792 | -0.67916 | 11 | 5 | Pose |
| MK219 | T20 native IFP available |
T20 selection_import_t20 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -19.1227 | -0.655457 | 11 | 7 | Pose |
| KB_chagas_52 | T20 native IFP available |
T20 selection_import_t20 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -20.9747 | -0.691317 | 11 | 7 | Pose |
| ulfkktlib_2006 | T20 native IFP available |
T20 selection_import_t20 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -24.6115 | -0.558321 | 11 | 7 | Pose |
| Z1546624232 | T20 native IFP available |
T20 selection_import_t20 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -19.6174 | -0.5118 | 11 | 6 | Pose |
| Z49734016 | T20 native IFP available |
T20 selection_import_t20 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -19.561 | -0.728846 | 11 | 7 | Pose |
| TC313 | T20 native IFP available |
T20 selection_import_t20 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -21.7857 | -0.630392 | 11 | 6 | Pose |
| KB_Leish_55 | T20 native IFP available |
T20 selection_import_t20 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -13.3191 | -0.812144 | 11 | 3 | Pose |
| KB_chagas_163 | T20 native IFP available |
T20 selection_import_t20 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -22.0382 | -0.869564 | 11 | 4 | Pose |
| Z2939836159 | T21 native IFP available |
T21 selection_import_t21 |
0.962 | 1.000 | 0.891 | native_similarity | final_rank_score | -22.4643 | -2.00931 | 14 | 16 | Pose |
| OHD_MAC_12 | T12 native IFP available |
T12 selection_import_t12 |
0.962 | 1.000 | 0.890 | native_similarity | final_rank_score | -22.8453 | -0.959472 | 16 | 11 | Pose |
| Z19503272 | T12 native IFP available |
T12 selection_import_t12 |
0.962 | 1.000 | 0.890 | native_similarity | final_rank_score | -25.9482 | -0.969968 | 16 | 15 | Pose |
| OHD_Babesia_25 | T06 native IFP available |
T06 selection_import_t06 |
0.961 | 1.000 | 0.888 | native_similarity | final_rank_score | -19.9222 | -0.706948 | 22 | 10 | Pose |
| OHD_MAC_67 | T10 native IFP available |
T10 selection_import_t10 |
0.960 | 1.000 | 0.887 | native_similarity | final_rank_score | -19.9813 | -0.853485 | 18 | 11 | Pose |
| TC287 | T10 native IFP available |
T10 selection_import_t10 |
0.960 | 1.000 | 0.887 | native_similarity | final_rank_score | -25.7697 | -1.8538 | 18 | 14 | Pose |
| NMT-TY0549 | T12 native IFP available |
T12 selection_import_t12 |
0.960 | 1.000 | 0.886 | native_similarity | final_rank_score | -36.0618 | -1.2862 | 17 | 15 | Pose |
| OHD_Leishmania_294 | T12 native IFP available |
T12 selection_import_t12 |
0.960 | 1.000 | 0.886 | native_similarity | final_rank_score | -27.7158 | -1.10478 | 17 | 14 | Pose |
| NMT-TY0975 | T12 native IFP available |
T12 selection_import_t12 |
0.960 | 1.000 | 0.886 | native_similarity | final_rank_score | -29.1696 | -1.26916 | 15 | 16 | Pose |
| OHD_Leishmania_134 | T05 native IFP available |
T05 selection_import_t05 |
0.960 | 1.000 | 0.886 | native_similarity | final_rank_score | -30.3693 | -0.997797 | 18 | 11 | Pose |
| OHD_Leishmania_128 | T05 native IFP available |
T05 selection_import_t05 |
0.960 | 1.000 | 0.884 | native_similarity | final_rank_score | -28.6237 | -0.843453 | 15 | 7 | Pose |
| Z275023564 | T13 native IFP available |
T13 selection_import_t13 |
0.959 | 1.000 | 0.884 | native_similarity | final_rank_score | -47.8733 | -0.989066 | 20 | 14 | Pose |
| ulfkktlib_804 | T17 native IFP available |
T17 selection_import_t17 |
0.959 | 1.000 | 0.882 | native_similarity | final_rank_score | -20.3699 | -0.570096 | 17 | 2 | Pose |
| Z49610429 | T10 native IFP available |
T10 selection_import_t10 |
0.959 | 1.000 | 0.882 | native_similarity | final_rank_score | -25.261 | -1.13052 | 17 | 11 | Pose |
| Z2755722093 | T21 native IFP available |
T21 selection_import_t21 |
0.959 | 1.000 | 0.882 | native_similarity | final_rank_score | -22.3636 | -1.55587 | 15 | 11 | Pose |
| Z49615771 | T21 native IFP available |
T21 selection_import_t21 |
0.959 | 1.000 | 0.882 | native_similarity | final_rank_score | -23.8961 | -1.3028 | 15 | 7 | Pose |
| Z25217831 | T10 native IFP available |
T10 selection_import_t10 |
0.957 | 1.000 | 0.878 | native_similarity | final_rank_score | -13.374 | -1.16375 | 18 | 13 | Pose |
| MK27 | T10 native IFP available |
T10 selection_import_t10 |
0.957 | 1.000 | 0.878 | native_similarity | final_rank_score | -14.4168 | -0.687821 | 18 | 13 | Pose |
| KB_HAT_181 | T10 native IFP available |
T10 selection_import_t10 |
0.957 | 1.000 | 0.877 | native_similarity | final_rank_score | -21.9275 | -1.03292 | 16 | 13 | Pose |
| Z21485324 | T10 native IFP available |
T10 selection_import_t10 |
0.957 | 1.000 | 0.877 | native_similarity | final_rank_score | -26.7794 | -1.28514 | 16 | 11 | Pose |
| Z2588062695 | T10 native IFP available |
T10 selection_import_t10 |
0.957 | 1.000 | 0.877 | native_similarity | final_rank_score | -20.8541 | -1.75566 | 16 | 16 | Pose |
| Z30900005 | T12 native IFP available |
T12 selection_import_t12 |
0.957 | 1.000 | 0.876 | native_similarity | final_rank_score | -26.2933 | -1.16046 | 17 | 13 | Pose |
| ulfkktlib_3748 | T21 native IFP available |
T21 selection_import_t21 |
0.957 | 1.000 | 0.876 | native_similarity | final_rank_score | -20.3725 | -0.917818 | 18 | 13 | Pose |
| Z104497306 | T12 native IFP available |
T12 selection_import_t12 |
0.956 | 1.000 | 0.876 | native_similarity | final_rank_score | -23.8017 | -1.51719 | 18 | 14 | Pose |
| OHD_Leishmania_133 | T06 native IFP available |
T06 selection_import_t06 |
0.956 | 1.000 | 0.875 | native_similarity | final_rank_score | -26.3168 | -0.855 | 23 | 8 | Pose |
| NMT-TY0579 | T10 native IFP available |
T10 selection_import_t10 |
0.956 | 1.000 | 0.874 | native_similarity | final_rank_score | -19.593 | -0.912171 | 17 | 16 | Pose |
| Z31309289 | T10 native IFP available |
T10 selection_import_t10 |
0.956 | 1.000 | 0.874 | native_similarity | final_rank_score | -17.395 | -1.22168 | 17 | 11 | Pose |
| NMT-TY0475 | T12 native IFP available |
T12 selection_import_t12 |
0.956 | 1.000 | 0.874 | native_similarity | final_rank_score | -29.8786 | -1.29388 | 16 | 15 | Pose |
| OHD_MAC_15 | T20 native IFP available |
T20 selection_import_t20 |
0.956 | 1.000 | 0.874 | native_similarity | final_rank_score | -13.2891 | -0.555888 | 8 | 5 | Pose |
| NMT-TY0768 | T20 native IFP available |
T20 selection_import_t20 |
0.956 | 1.000 | 0.874 | native_similarity | final_rank_score | -21.5726 | -0.835752 | 8 | 7 | Pose |
| TC552 | T20 native IFP available |
T20 selection_import_t20 |
0.956 | 1.000 | 0.874 | native_similarity | final_rank_score | -8.35862 | -0.767501 | 8 | 6 | Pose |
| OHD_TC1_163 | T20 native IFP available |
T20 selection_import_t20 |
0.956 | 1.000 | 0.874 | native_similarity | final_rank_score | -17.0802 | -0.746025 | 8 | 7 | Pose |
| OHD_ACDS_25 | T20 native IFP available |
T20 selection_import_t20 |
0.956 | 1.000 | 0.874 | native_similarity | final_rank_score | -18.3964 | -0.817557 | 8 | 4 | Pose |
| OHD_MV-40 | T01 native IFP available |
T01 selection_import_t01 |
0.956 | 1.000 | 0.873 | native_similarity | final_rank_score | -28.7811 | -0.99164 | 19 | 6 | Pose |
| TC392 | T10 native IFP available |
T10 selection_import_t10 |
0.955 | 1.000 | 0.873 | native_similarity | final_rank_score | -27.7999 | -1.07531 | 17 | 11 | Pose |
| KB_HAT_137 | T10 native IFP available |
T10 selection_import_t10 |
0.955 | 1.000 | 0.873 | native_similarity | final_rank_score | -17.5836 | -1.24399 | 17 | 12 | Pose |
| Z49724748 | T21 native IFP available |
T21 selection_import_t21 |
0.955 | 1.000 | 0.872 | native_similarity | final_rank_score | -23.3257 | -1.08344 | 17 | 13 | Pose |
| NMT-TY0772 | T06 native IFP available |
T06 selection_import_t06 |
0.955 | 1.000 | 0.870 | native_similarity | final_rank_score | -17.7812 | -1.25726 | 20 | 10 | Pose |
| NMT-TY0716 | T06 native IFP available |
T06 selection_import_t06 |
0.955 | 1.000 | 0.870 | native_similarity | final_rank_score | -16.7965 | -1.10613 | 20 | 11 | Pose |
| Z18509545 | T12 native IFP available |
T12 selection_import_t12 |
0.954 | 1.000 | 0.870 | native_similarity | final_rank_score | -26.9312 | -1.03918 | 16 | 11 | Pose |
| OHD_MAC_13 | T12 native IFP available |
T12 selection_import_t12 |
0.954 | 1.000 | 0.870 | native_similarity | final_rank_score | -20.8179 | -0.89519 | 16 | 11 | Pose |
| ulfkktlib_339 | T21 native IFP available |
T21 selection_import_t21 |
0.954 | 1.000 | 0.869 | native_similarity | final_rank_score | -36.3274 | -1.97334 | 15 | 16 | Pose |
| OHD_Leishmania_270 | T10 native IFP available |
T10 selection_import_t10 |
0.954 | 1.000 | 0.869 | native_similarity | final_rank_score | -18.1799 | -0.748147 | 18 | 13 | Pose |
| Z49620451 | T21 native IFP available |
T21 selection_import_t21 |
0.954 | 1.000 | 0.868 | native_similarity | final_rank_score | -28.9503 | -1.01479 | 14 | 15 | Pose |
| Z1274773112 | T21 native IFP available |
T21 selection_import_t21 |
0.954 | 1.000 | 0.868 | native_similarity | final_rank_score | -21.8819 | -1.68549 | 14 | 11 | Pose |
| OHD_Leishmania_192 | T10 native IFP available |
T10 selection_import_t10 |
0.954 | 1.000 | 0.868 | native_similarity | final_rank_score | -21.3887 | -1.04789 | 16 | 16 | Pose |
| Z49691086 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -17.4837 | -0.478985 | 12 | 6 | Pose |
| KB_Leish_40 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -18.6901 | -0.748644 | 12 | 8 | Pose |
| OHD_TbNat_126 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -18.7308 | -0.415063 | 12 | 3 | Pose |
| OHD_Leishmania_481 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -24.0235 | -0.708066 | 12 | 9 | Pose |
| Z49620451 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -20.6273 | -0.716795 | 12 | 6 | Pose |
| NMT-TY0622 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -22.1976 | -0.859185 | 12 | 9 | Pose |
| NMT-TY0620 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -14.0022 | -0.623323 | 12 | 6 | Pose |
| NMT-TY0618 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -18.4464 | -0.758294 | 12 | 9 | Pose |
| NMT-TY0617 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -20.263 | -0.785608 | 12 | 9 | Pose |
| Z49595914 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -16.1264 | -0.481317 | 12 | 7 | Pose |
| Z49643066 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -20.1633 | -0.455559 | 12 | 5 | Pose |
| Z56262874 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -18.1016 | -0.593741 | 12 | 5 | Pose |
| OHD_TC1_161 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -19.9392 | -0.79464 | 12 | 7 | Pose |
| Z20224548 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -15.5303 | -0.622403 | 12 | 6 | Pose |
| Z29582968 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -20.3694 | -0.594465 | 12 | 5 | Pose |
| Z2569867923 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -18.7578 | -0.624074 | 12 | 12 | Pose |
| KB_HAT_171 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -18.0844 | -0.658142 | 12 | 5 | Pose |
| Z56262886 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -17.7389 | -0.575177 | 12 | 5 | Pose |
| KB_chagas_97 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -18.3087 | -0.68708 | 12 | 7 | Pose |
| OHD_MAC_53 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -10.201 | -0.519069 | 12 | 6 | Pose |
| TC225 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -19.7425 | -0.73588 | 12 | 5 | Pose |
| 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 |
| Z56857258 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -22.6023 | -0.570621 | 12 | 6 | Pose |
| Z27358498 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -21.5749 | -0.715647 | 12 | 8 | Pose |
| Z754926486 | T20 native IFP available |
T20 selection_import_t20 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -12.8936 | -0.344611 | 12 | 7 | Pose |
| NMT-TY0822 | T06 native IFP available |
T06 selection_import_t06 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -20.0023 | -1.19289 | 17 | 10 | Pose |
| Z31705620 | T17 native IFP available |
T17 selection_import_t17 |
0.953 | 1.000 | 0.867 | native_similarity | final_rank_score | -21.8514 | -0.674248 | 18 | 8 | Pose |
| Z1546616194 | T12 native IFP available |
T12 selection_import_t12 |
0.953 | 1.000 | 0.866 | native_similarity | final_rank_score | -28.0679 | -1.41403 | 17 | 10 | Pose |
| MK167 | T12 native IFP available |
T12 selection_import_t12 |
0.953 | 1.000 | 0.866 | native_similarity | final_rank_score | -25.9307 | -1.00006 | 17 | 12 | Pose |
| OHD_MAC_1 | T12 native IFP available |
T12 selection_import_t12 |
0.953 | 1.000 | 0.866 | native_similarity | final_rank_score | -24.494 | -0.823419 | 15 | 15 | Pose |
| OHD_MAC_72 | T12 native IFP available |
T12 selection_import_t12 |
0.953 | 1.000 | 0.866 | native_similarity | final_rank_score | -22.4 | -1.03631 | 15 | 10 | Pose |
| TC288 | T12 native IFP available |
T12 selection_import_t12 |
0.953 | 1.000 | 0.866 | native_similarity | final_rank_score | -29.2219 | -1.09409 | 15 | 13 | Pose |
| OHD_MAC_29 | T12 native IFP available |
T12 selection_import_t12 |
0.953 | 1.000 | 0.866 | native_similarity | final_rank_score | -25.3299 | -1.06409 | 18 | 14 | Pose |
| OHD_MAC_36 | T12 native IFP available |
T12 selection_import_t12 |
0.953 | 1.000 | 0.866 | native_similarity | final_rank_score | -32.77 | -1.23656 | 18 | 13 | Pose |
| OHD_Leishmania_129 | T05 native IFP available |
T05 selection_import_t05 |
0.953 | 1.000 | 0.865 | native_similarity | final_rank_score | -25.3207 | -0.869858 | 16 | 7 | Pose |
| Z1521553982 | T05 native IFP available |
T05 selection_import_t05 |
0.953 | 1.000 | 0.865 | native_similarity | final_rank_score | -31.8162 | -0.895481 | 16 | 8 | Pose |
| KB_HAT_181 | T22 native IFP available |
T22 selection_import_t22 |
0.953 | 1.000 | 0.865 | native_similarity | final_rank_score | -32.4281 | -1.32151 | 23 | 13 | Pose |
| KB_HAT_115 | T10 native IFP available |
T10 selection_import_t10 |
0.952 | 1.000 | 0.864 | native_similarity | final_rank_score | -13.2707 | -0.942215 | 17 | 11 | Pose |
| ulfkktlib_1295 | T10 native IFP available |
T10 selection_import_t10 |
0.952 | 1.000 | 0.864 | native_similarity | final_rank_score | -19.3991 | -1.4231 | 17 | 11 | Pose |
| Z133716394 | T10 native IFP available |
T10 selection_import_t10 |
0.952 | 1.000 | 0.863 | native_similarity | final_rank_score | -25.6128 | -1.1776 | 15 | 13 | Pose |
| Z55694322 | T21 native IFP available |
T21 selection_import_t21 |
0.951 | 1.000 | 0.860 | native_similarity | final_rank_score | -24.1504 | -0.808096 | 17 | 9 | Pose |
| Z68347496 | T21 native IFP available |
T21 selection_import_t21 |
0.951 | 1.000 | 0.860 | native_similarity | final_rank_score | -28.5624 | -0.901 | 17 | 12 | Pose |
| MK219 | T10 native IFP available |
T10 selection_import_t10 |
0.951 | 1.000 | 0.860 | native_similarity | final_rank_score | -23.8418 | -1.05167 | 18 | 13 | Pose |
| Z426369012 | T10 native IFP available |
T10 selection_import_t10 |
0.951 | 1.000 | 0.860 | native_similarity | final_rank_score | -23.9116 | -0.913163 | 18 | 13 | Pose |
| Z57329641 | T10 native IFP available |
T10 selection_import_t10 |
0.951 | 1.000 | 0.860 | native_similarity | final_rank_score | -26.9752 | -1.23884 | 18 | 14 | Pose |
| MK160 | T10 native IFP available |
T10 selection_import_t10 |
0.951 | 1.000 | 0.860 | native_similarity | final_rank_score | -30.8877 | -1.11671 | 18 | 14 | Pose |
| OHD_MAC_34 | T10 native IFP available |
T10 selection_import_t10 |
0.951 | 1.000 | 0.860 | native_similarity | final_rank_score | -27.1837 | -0.998977 | 18 | 10 | Pose |
| OHD_MAC_28 | T10 native IFP available |
T10 selection_import_t10 |
0.951 | 1.000 | 0.860 | native_similarity | final_rank_score | -23.6684 | -0.942594 | 18 | 9 | Pose |
| OHD_MAC_63 | T10 native IFP available |
T10 selection_import_t10 |
0.951 | 1.000 | 0.860 | native_similarity | final_rank_score | -17.7416 | -0.715126 | 18 | 11 | Pose |
| OHD_MAC_1 | T10 native IFP available |
T10 selection_import_t10 |
0.951 | 1.000 | 0.860 | native_similarity | final_rank_score | -23.3581 | -0.83133 | 18 | 12 | Pose |
| MK7 | T10 native IFP available |
T10 selection_import_t10 |
0.951 | 1.000 | 0.860 | native_similarity | final_rank_score | -23.9334 | -1.10466 | 18 | 14 | Pose |
| Z2939836159 | T10 native IFP available |
T10 selection_import_t10 |
0.951 | 1.000 | 0.859 | native_similarity | final_rank_score | -27.8015 | -2.36596 | 16 | 14 | Pose |
| TC258 | T13 native IFP available |
T13 selection_import_t13 |
0.950 | 1.000 | 0.858 | native_similarity | final_rank_score | -25.0634 | -0.930383 | 19 | 14 | Pose |
| OHD_Schistosoma_110 | T21 native IFP available |
T21 selection_import_t21 |
0.950 | 1.000 | 0.858 | native_similarity | final_rank_score | -22.4062 | -1.12021 | 16 | 12 | Pose |
| TC394 | T10 native IFP available |
T10 selection_import_t10 |
0.950 | 1.000 | 0.858 | native_similarity | final_rank_score | -31.4819 | -1.07692 | 19 | 14 | Pose |
| OHD_MAC_48 | T10 native IFP available |
T10 selection_import_t10 |
0.950 | 1.000 | 0.858 | native_similarity | final_rank_score | -16.7158 | -0.713025 | 19 | 11 | Pose |
| Z49620451 | T12 native IFP available |
T12 selection_import_t12 |
0.950 | 1.000 | 0.856 | native_similarity | final_rank_score | -30.2411 | -1.12909 | 17 | 12 | Pose |
| Z44349777 | T10 native IFP available |
T10 selection_import_t10 |
0.950 | 1.000 | 0.856 | native_similarity | final_rank_score | -29.8407 | -1.05115 | 17 | 13 | Pose |
| Z16211652 | T10 native IFP available |
T10 selection_import_t10 |
0.950 | 1.000 | 0.856 | native_similarity | final_rank_score | -25.3885 | -1.06931 | 17 | 13 | Pose |
| ulfkktlib_626 | T10 native IFP available |
T10 selection_import_t10 |
0.950 | 1.000 | 0.856 | native_similarity | final_rank_score | -19.7669 | -1.21769 | 17 | 14 | Pose |
| Z25492290 | T10 native IFP available |
T10 selection_import_t10 |
0.950 | 1.000 | 0.856 | native_similarity | final_rank_score | -24.5292 | -0.765245 | 17 | 12 | Pose |
| NMT-TY0928 | T21 native IFP available |
T21 selection_import_t21 |
0.950 | 1.000 | 0.856 | native_similarity | final_rank_score | -28.9223 | -1.09969 | 14 | 16 | Pose |
| OHD_Leishmania_127 | T03 native IFP available |
T03 selection_import_t03 |
0.949 | 1.000 | 0.855 | native_similarity | final_rank_score | -30.7846 | -0.780992 | 22 | 12 | Pose |
| MK155 | T10 native IFP available |
T10 selection_import_t10 |
0.949 | 1.000 | 0.855 | native_similarity | final_rank_score | -33.8409 | -1.15557 | 17 | 13 | Pose |
| TC487 | T10 native IFP available |
T10 selection_import_t10 |
0.949 | 1.000 | 0.855 | native_similarity | final_rank_score | -25.2548 | -0.994655 | 17 | 10 | Pose |
| Z276200254 | T10 native IFP available |
T10 selection_import_t10 |
0.949 | 1.000 | 0.855 | native_similarity | final_rank_score | -20.0261 | -0.886304 | 17 | 10 | Pose |
| Z57009636 | T10 native IFP available |
T10 selection_import_t10 |
0.949 | 1.000 | 0.855 | native_similarity | final_rank_score | -25.7731 | -1.25604 | 17 | 12 | Pose |
| Z19459210 | T12 native IFP available |
T12 selection_import_t12 |
0.949 | 1.000 | 0.854 | native_similarity | final_rank_score | -25.164 | -1.02946 | 16 | 13 | Pose |
| Z55466823 | T12 native IFP available |
T12 selection_import_t12 |
0.949 | 1.000 | 0.854 | native_similarity | final_rank_score | -29.6107 | -1.17655 | 16 | 15 | Pose |
| Z27682971 | T12 native IFP available |
T12 selection_import_t12 |
0.949 | 1.000 | 0.854 | native_similarity | final_rank_score | -27.3775 | -1.28168 | 16 | 14 | Pose |
| Z275128596 | T08 native IFP available |
T08 selection_import_t08 |
0.948 | 1.000 | 0.853 | native_similarity | final_rank_score | -34.8023 | -1.80601 | 15 | 13 | Pose |
| Z1431036083 | T06 native IFP available |
T06 selection_import_t06 |
0.948 | 1.000 | 0.852 | native_similarity | final_rank_score | -22.4055 | -1.40275 | 18 | 9 | Pose |
| OHD_Leishmania_136 | T06 native IFP available |
T06 selection_import_t06 |
0.948 | 1.000 | 0.852 | native_similarity | final_rank_score | -28.341 | -0.958177 | 18 | 9 | Pose |
| OHD_TB2022_41 | T06 native IFP available |
T06 selection_import_t06 |
0.948 | 1.000 | 0.852 | native_similarity | final_rank_score | -25.0548 | -0.992095 | 18 | 6 | Pose |
| OHD_MAC_40 | T06 native IFP available |
T06 selection_import_t06 |
0.948 | 1.000 | 0.852 | native_similarity | final_rank_score | -23.4445 | -1.23563 | 18 | 7 | Pose |
| NMT-TY0544 | T06 native IFP available |
T06 selection_import_t06 |
0.948 | 1.000 | 0.852 | native_similarity | final_rank_score | -21.8228 | -1.20332 | 18 | 9 | Pose |
| NMT-TY0543 | T06 native IFP available |
T06 selection_import_t06 |
0.948 | 1.000 | 0.852 | native_similarity | final_rank_score | -20.5804 | -1.03006 | 18 | 12 | Pose |
| OHD_MAC_51 | T10 native IFP available |
T10 selection_import_t10 |
0.948 | 1.000 | 0.851 | native_similarity | final_rank_score | -16.6889 | -0.834522 | 18 | 15 | Pose |
| Z1274773112 | T10 native IFP available |
T10 selection_import_t10 |
0.948 | 1.000 | 0.851 | native_similarity | final_rank_score | -20.6199 | -1.61284 | 18 | 12 | Pose |
| Z49723635 | T10 native IFP available |
T10 selection_import_t10 |
0.948 | 1.000 | 0.851 | native_similarity | final_rank_score | -22.7522 | -1.16313 | 18 | 15 | Pose |
| Z56891526 | T21 native IFP available |
T21 selection_import_t21 |
0.948 | 1.000 | 0.850 | native_similarity | final_rank_score | -23.6548 | -1.34099 | 17 | 9 | Pose |
| Z30857987 | T10 native IFP available |
T10 selection_import_t10 |
0.947 | 1.000 | 0.850 | native_similarity | final_rank_score | -20.2148 | -1.06026 | 16 | 13 | Pose |
| Z45636695 | T10 native IFP available |
T10 selection_import_t10 |
0.947 | 1.000 | 0.850 | native_similarity | final_rank_score | -21.9764 | -1.73646 | 16 | 11 | Pose |
| OHD_TB2022_32 | T21 native IFP available |
T21 selection_import_t21 |
0.947 | 1.000 | 0.850 | native_similarity | final_rank_score | -29.8785 | -0.896731 | 16 | 16 | Pose |
| OHD_MAC_16 | T10 native IFP available |
T10 selection_import_t10 |
0.947 | 1.000 | 0.849 | native_similarity | final_rank_score | -25.8714 | -1.00391 | 20 | 11 | Pose |
| Z56786752 | T21 native IFP available |
T21 selection_import_t21 |
0.946 | 1.000 | 0.847 | native_similarity | final_rank_score | -24.9451 | -1.29144 | 15 | 11 | Pose |
| ulfkktlib_1030 | T21 native IFP available |
T21 selection_import_t21 |
0.946 | 1.000 | 0.847 | native_similarity | final_rank_score | -22.865 | -1.43382 | 15 | 11 | Pose |
| Z56174559 | T21 native IFP available |
T21 selection_import_t21 |
0.946 | 1.000 | 0.847 | native_similarity | final_rank_score | -21.791 | -1.21506 | 15 | 9 | Pose |
| Z57158549 | T21 native IFP available |
T21 selection_import_t21 |
0.946 | 1.000 | 0.847 | native_similarity | final_rank_score | -24.2767 | -1.44212 | 15 | 6 | Pose |
| Z49545335 | T12 native IFP available |
T12 selection_import_t12 |
0.946 | 1.000 | 0.847 | native_similarity | final_rank_score | -26.0971 | -1.2191 | 19 | 11 | Pose |
| Z49995281 | T21 native IFP available |
T21 selection_import_t21 |
0.946 | 1.000 | 0.847 | native_similarity | final_rank_score | -24.9734 | -0.981231 | 15 | 10 | Pose |
| Z57176222 | T12 native IFP available |
T12 selection_import_t12 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -26.6001 | -1.36673 | 17 | 13 | Pose |
| OHD_MAC_54 | T12 native IFP available |
T12 selection_import_t12 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -24.0027 | -0.989348 | 17 | 10 | Pose |
| Z17094078 | T22 native IFP available |
T22 selection_import_t22 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -23.1701 | -1.13429 | 23 | 16 | Pose |
| OHD_TC1_88 | T12 native IFP available |
T12 selection_import_t12 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -28.6052 | -1.27524 | 15 | 11 | Pose |
| Z25403962 | T12 native IFP available |
T12 selection_import_t12 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -33.7698 | -1.33391 | 15 | 13 | Pose |
| ulfkktlib_2850 | T10 native IFP available |
T10 selection_import_t10 |
0.946 | 0.988 | 0.869 | native_similarity | final_rank_score | -19.3265 | -1.07645 | 18 | 14 | Pose |
| KB_HAT_151 | T20 native IFP available |
T20 selection_import_t20 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -20.2236 | -0.663106 | 13 | 6 | Pose |
| OHD_MAC_1 | T20 native IFP available |
T20 selection_import_t20 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -15.0501 | -0.596198 | 13 | 9 | Pose |
| OHD_TB2019_3 | T20 native IFP available |
T20 selection_import_t20 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -16.4804 | -0.656087 | 13 | 5 | Pose |
| KB_Leish_29 | T20 native IFP available |
T20 selection_import_t20 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -18.4118 | -0.650399 | 13 | 4 | Pose |
| OHD_MAC_68 | T20 native IFP available |
T20 selection_import_t20 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -17.636 | -0.557853 | 13 | 9 | Pose |
| OHD_TB2023_3 | T20 native IFP available |
T20 selection_import_t20 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -24.9305 | -0.57715 | 13 | 7 | Pose |
| Z57985071 | T20 native IFP available |
T20 selection_import_t20 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -16.3249 | -0.53571 | 13 | 4 | Pose |
| Z56943174 | T20 native IFP available |
T20 selection_import_t20 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -35.0115 | -0.588294 | 13 | 7 | Pose |
| TC241 | T21 native IFP available |
T21 selection_import_t21 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -27.6814 | -1.26484 | 14 | 14 | Pose |
| Z728800604 | T21 native IFP available |
T21 selection_import_t21 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -21.6145 | -0.909128 | 16 | 11 | Pose |
| Z1213740102 | T12 native IFP available |
T12 selection_import_t12 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -30.127 | -0.808049 | 18 | 12 | Pose |
| Z30932461 | T12 native IFP available |
T12 selection_import_t12 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -28.8737 | -1.15728 | 18 | 14 | Pose |
| MK174 | T12 native IFP available |
T12 selection_import_t12 |
0.946 | 1.000 | 0.846 | native_similarity | final_rank_score | -28.6445 | -1.03148 | 18 | 13 | Pose |
| KB_chagas_101 | T22 native IFP available |
T22 selection_import_t22 |
0.946 | 1.000 | 0.845 | native_similarity | final_rank_score | -34.4142 | -1.20845 | 22 | 13 | Pose |
| MK210 | T10 native IFP available |
T10 selection_import_t10 |
0.946 | 1.000 | 0.845 | native_similarity | final_rank_score | -22.1427 | -0.879267 | 17 | 11 | Pose |
| OHD_Leishmania_124 | T06 native IFP available |
T06 selection_import_t06 |
0.946 | 1.000 | 0.845 | native_similarity | final_rank_score | -25.8189 | -0.83407 | 22 | 8 | Pose |
| Z1501475005 | T06 native IFP available |
T06 selection_import_t06 |
0.946 | 1.000 | 0.845 | native_similarity | final_rank_score | -23.7009 | -0.995065 | 22 | 13 | Pose |
| NMT-TY0645 | T10 native IFP available |
T10 selection_import_t10 |
0.945 | 1.000 | 0.843 | native_similarity | final_rank_score | -14.4763 | -0.696138 | 16 | 16 | Pose |
| Z16345719 | T10 native IFP available |
T10 selection_import_t10 |
0.945 | 1.000 | 0.843 | native_similarity | final_rank_score | -28.0215 | -0.839941 | 16 | 12 | Pose |
| Z184527394 | T11 native IFP available |
T11 selection_import_t11 |
0.945 | 1.000 | 0.843 | native_similarity | final_rank_score | -19.8541 | -0.929764 | 15 | 5 | Pose |
| Z19222909 | T20 native IFP available |
T20 selection_import_t20 |
0.945 | 1.000 | 0.842 | native_similarity | final_rank_score | -16.8113 | -0.653269 | 9 | 4 | Pose |
| OHD_MAC_74 | T20 native IFP available |
T20 selection_import_t20 |
0.945 | 1.000 | 0.842 | native_similarity | final_rank_score | -19.1835 | -0.66171 | 9 | 9 | Pose |
| OHD_TbNat_105 | T20 native IFP available |
T20 selection_import_t20 |
0.945 | 1.000 | 0.842 | native_similarity | final_rank_score | -22.1569 | -0.704502 | 9 | 6 | Pose |
| Z44848695 | T20 native IFP available |
T20 selection_import_t20 |
0.945 | 1.000 | 0.842 | native_similarity | final_rank_score | -19.3192 | -0.596559 | 9 | 4 | Pose |
| OHD_MAC_32 | T20 native IFP available |
T20 selection_import_t20 |
0.945 | 1.000 | 0.842 | native_similarity | final_rank_score | -13.4904 | -0.572331 | 9 | 5 | Pose |
| KB_Leish_175 | T20 native IFP available |
T20 selection_import_t20 |
0.945 | 1.000 | 0.842 | native_similarity | final_rank_score | -19.2659 | -0.655271 | 9 | 4 | Pose |
| OHD_TB2022_21 | T01 native IFP available |
T01 selection_import_t01 |
0.945 | 1.000 | 0.842 | native_similarity | final_rank_score | -24.1835 | -0.776562 | 21 | 11 | Pose |
| Z56071560 | T21 native IFP available |
T21 selection_import_t21 |
0.945 | 1.000 | 0.842 | native_similarity | final_rank_score | -23.8511 | -0.744179 | 18 | 8 | Pose |
| OHD_MAC_28 | T21 native IFP available |
T21 selection_import_t21 |
0.945 | 1.000 | 0.842 | native_similarity | final_rank_score | -21.8457 | -0.896861 | 18 | 13 | Pose |
| Z1521554012 | T21 native IFP available |
T21 selection_import_t21 |
0.945 | 1.000 | 0.842 | native_similarity | final_rank_score | -28.8526 | -1.06427 | 18 | 14 | Pose |
| Z20224548 | T21 native IFP available |
T21 selection_import_t21 |
0.945 | 1.000 | 0.842 | native_similarity | final_rank_score | -24.8157 | -0.825245 | 18 | 11 | Pose |