Ligand Data
Ligand
| Name | CHEMBL27617 |
| SMILES | COc1cccc(Sc2c(C(=O)O)n(Cc3ccc4c(c3)OCO4)c3cc4c(cc23)OCO4)c1 |
| InChIKey | XBXUZKKIOMHQDF-UHFFFAOYSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight | 477.1 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| ETB | EDNRB | Human | Endothelin | A (Rhodopsin) | 760 | 760 | 760 | |||
| ETA | EDNRA | Human | Endothelin | A (Rhodopsin) | 84.0 | 84.0 | 84.0 | |||