Ligand Data
Ligand
| Name | W146 |
| SMILES | CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N |
| InChIKey | FWJRVGZWNDOOFH-OAHLLOKOSA-N |
| Type | small-molecule |
| External Links | |
| Structure pdb | 3V2W 3V2Y |
Structure
Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 10 |
| Molecular weight | 342.2 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A (Rhodopsin) | 18.0 | 1575.0 | 4630.0 | |||