1 compounds in matrix
2 best compound-target hits listed
2 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 | T07 | T10 |
|---|---|---|---|---|---|
|
Z115639322
[H]N(c1cccc2cccnc12)S(=O)(=O)c1ccc(Cl)s1
|
0.860 | 0.859 | 2 | 0.86 | 0.86 |
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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Z115639322 [H]N(c1cccc2cccnc12)S(=O)(=O)c1ccc(Cl)s1 |
T07 native IFP available |
T07 selection_import_t07 |
0.860 | 1.000 | 0.599 | native_similarity | final_rank_score | -28.1073 | -1.59282 | 13 | 4 | Pose |
| Z115639322 [H]N(c1cccc2cccnc12)S(=O)(=O)c1ccc(Cl)s1 |
T10 native IFP available |
T10 selection_import_t10 |
0.859 | 1.000 | 0.597 | native_similarity | final_rank_score | -22.4156 | -1.22631 | 13 | 9 | Pose |