Ligand Data
Ligand
| Name | CHEMBL139464 |
| SMILES | C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cccc(NS(C)(=O)=O)c1)c1ccccc1 |
| InChIKey | UNGJRWQXFMCGEL-AFJIDDCJSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 10 |
| Molecular weight | 548.2 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| NK1 | NK1R | Human | Tachykinin | A (Rhodopsin) | 7244 | 7244 | 7244 | |||