3796 : (2S,3R,4S,5S,6R)-2-{2-hydroxy-4-[(5S)-5-hydroxy-7-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)heptyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 3796 |
| Name | (2S,3R,4S,5S,6R)-2-{2-hydroxy-4-[(5S)-5-hydroxy-7-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)heptyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
| smile | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC1=CC=C(C=C1O)CCCC[C@@H](CCC1=CC=C(C(=C1)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O |
| weight | 657 |
| scaffold ID | 34 |
| scaffold smile | c1cc(OC2CCCCO2)ccc1CCCCCCCc1ccc(OC2CCCCO2)cc1 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1C1 | Peroxisome proliferator activated receptor alpha | 3796 | (2S,3R,4S,5S,6R)-2-{2-hydroxy-4-[(5S)-5-hydroxy-7-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)heptyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol | 50.0 |
Scaffold Activities Statistic