Results for job id P00042
Job information:
Job id: P00042
Job name: dud_er-antagonis
Job starting time: 2017-12-22/16:08:08
Job ending time: 2017-12-22/16:46:57
ligand MOL2: lig.mol2
Protein UniProt AC/ID: ESR1_HUMAN
Top (up to) 10 predicted binding modes using SHAFTS (template-based)
Click the "View" button on the right panel to display the corresponding binding mode.
Click "Model #" to download the corresponding PDB file.
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| Models | Active | View | PDB | SHAFTS | ITScore |
| Model 1 | 5aavA | 1.5 | -61.8 | ||
| Model 2 | 1xp1A | 1.3 | -56.6 | ||
| Model 3 | 2i0jA | 1.3 | -40.9 | ||
| Model 4 | 5tm6A | 1.2 | -28.9 | ||
| Model 5 | 2pogA | 1.3 | -26.3 | ||
| Model 6 | 3uuaA | 1.2 | -16.2 | ||
| Model 7 | 5ehjA | 1.2 | -13.1 | ||
| Model 8 | 5tmsA | 1.3 | -2.0 | ||
| Model 9 | 5dxqA | 1.3 | -0.8 | ||
| Model 10 | 1l2iA | 1.3 | 2.6 |
Download
Click Here to download all the results.
Top 10 predicted binding modes (docking-based)
The PDB 3ertA (SHAFTS score: 1.9) was selected for docking.
Click the "View" button on the right panel to display the corresponding binding mode.
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| Models | Active | View | ITScore | Download |
| Model 1 | -70.0 | Download | ||
| Model 2 | -54.5 | Download | ||
| Model 3 | -44.4 | Download | ||
| Model 4 | -39.2 | Download | ||
| Model 5 | -39.0 | Download | ||
| Model 6 | -38.8 | Download | ||
| Model 7 | -38.7 | Download | ||
| Model 8 | -37.9 | Download | ||
| Model 9 | -37.3 | Download | ||
| Model 10 | -37.2 | Download |
Download
Click Here to download all the results.