Ligand Data
Ligand
| Name | CHEMBL2237595 |
| SMILES | CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[nH]2)cc1 |
| InChIKey | IVHIYOHUWNXHCH-UHFFFAOYSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Molecular weight | 569.2 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| AT1 | AGTR1 | Rabbit | Angiotensin | A (Rhodopsin) | 6.6 | 6.6 | 6.6 | |||