1 compounds in matrix
1 best compound-target hits listed
1 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 | T11 |
|---|---|---|---|---|
|
Z32661458
[H]N(C(=O)c1cccc(OCc2c(C)noc2C)c1)c1ccc(C)c(S(=O)(=O)Nc2ccccc2Cl)c1
|
0.840 | 0.840 | 1 | 0.84 |
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 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Z32661458 [H]N(C(=O)c1cccc(OCc2c(C)noc2C)c1)c1ccc(C)c(S(=O)(=O)Nc2ccccc2Cl)c1 |
T11 native IFP available |
T11 dockmulti_91311c650f2e_T11 |
0.840 | 1.000 | 0.542 | native_similarity | final_rank_score | -18.8805 | -0.564294 | 19 | 2 | Pose |