1768 : 1,7-bis(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)heptan-3-one
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 1768 |
| Name | 1,7-bis(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)heptan-3-one |
| smile | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC1=CC=C(C=C1O)CCCCC(CCC1=CC=C(C(=C1)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)=O |
| weight | 655 |
| scaffold ID | 33 |
| scaffold smile | O=C(CCCCc1ccc(OC2CCCCO2)cc1)CCc1ccc(OC2CCCCO2)cc1 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1C2 | Peroxisome proliferator activated receptor delta | 1768 | 1,7-bis(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)heptan-3-one | 11.0 |
Scaffold Activities Statistic