Ligand Data
Ligand
| Name | CHEMBL278085 |
| SMILES | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 |
| InChIKey | OMBXIIQERBKCSZ-FAOMPSFFSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 11 |
| Molecular weight | 506.3 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| CCR5 | CCR5 | Human | Chemokine | A (Rhodopsin) | 0.5 | 0.5 | 0.5 | |||