Ligand Data
Ligand
| Name | CHEMBL2261363 |
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)NC(=O)C(C2=CC3=C(C=C2)OCO3)C4=CN(C5=C4C=CC(=C5)Cl)C)OC |
| InChIKey | FDVBFLHJYUCEKU-UHFFFAOYSA-N |
| Type | small molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight | 527.0 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| ETA | ednra_human | Human | Endothelin receptors | Class A (Rhodopsin) | 46.0 | 46.0 | 46.0 | |||
| ETB | ednrb_human | Human | Endothelin receptors | Class A (Rhodopsin) | 217.0 | 217.0 | 217.0 | |||