10456 : (1S,2R,5S,7R,9S,11S,12S,15R,16R)-15-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadecan-5-ol
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 10456 |
| Name | (1S,2R,5S,7R,9S,11S,12S,15R,16R)-15-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadecan-5-ol |
| smile | CC(C1CCC2C1(C)CCC1C2CC2C3(O2)C1(C)CCC(O)C3)CCC1C(C)(C)O1 |
| weight | 417 |
| scaffold ID | 153 |
| scaffold smile | C(CC1CO1)CC1CCC2C1CCC1C2CC2OC23CCCCC13 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1H3 | Oxysterols receptor LXR-alpha | 10456 | (1S,2R,5S,7R,9S,11S,12S,15R,16R)-15-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadecan-5-ol | 7.0 |
Scaffold Activities Statistic