Ligand Data
Ligand
| Name | CHEMBL176850 |
| SMILES | CCn1nc(Cc2cccc(F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 |
| InChIKey | MZQIEEBUCHJUJU-NNYJQHGCSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 10 |
| Molecular weight | 564.3 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| CCR5 | CCR5 | Human | Chemokine | A (Rhodopsin) | 1.3 | 1.3 | 1.3 | |||