Ligand Data
Ligand
| Name | CHEMBL320208 |
| SMILES | CCCCCc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 |
| InChIKey | FHOLSLVTQPRBKJ-KKUQBAQOSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight | 459.2 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| ETB | EDNRB | Human | Endothelin | A (Rhodopsin) | 9.1 | 9.1 | 9.1 | |||
| ETA | EDNRA | Human | Endothelin | A (Rhodopsin) | 1.9 | 1.9 | 1.9 | |||