2731 : (2S)-3-(4-{[(2E)-5-{3-[(3E)-5-{4-[(2S)-2-carboxy-2-ethoxyethyl]phenoxy}pent-3-en-1-yn-1-yl]phenyl}pent-2-en-4-yn-1-yl]oxy}phenyl)-2-ethoxypropanoic acid
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 2731 |
| Name | (2S)-3-(4-{[(2E)-5-{3-[(3E)-5-{4-[(2S)-2-carboxy-2-ethoxyethyl]phenoxy}pent-3-en-1-yn-1-yl]phenyl}pent-2-en-4-yn-1-yl]oxy}phenyl)-2-ethoxypropanoic acid |
| smile | CCO[C@H](C(O)=O)CC1=CC=C(C=C1)OC/C=C/C#CC1=CC=CC(C#C/C=C/COC2=CC=C(C=C2)C[C@@H](C(O)=O)OCC)=C1 |
| weight | 623 |
| scaffold ID | 1292 |
| scaffold smile | C(#Cc1cccc(C#CC=CCOc2ccccc2)c1)C=CCOc1ccccc1 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1C3 | Peroxisome proliferator activated receptor gamma | 2731 | (2S)-3-(4-{[(2E)-5-{3-[(3E)-5-{4-[(2S)-2-carboxy-2-ethoxyethyl]phenoxy}pent-3-en-1-yn-1-yl]phenyl}pent-2-en-4-yn-1-yl]oxy}phenyl)-2-ethoxypropanoic acid | 1.65 |
Scaffold Activities Statistic