Ligand Data
Ligand
| Name | CHEMBL3263322 |
| SMILES | CC(C)OC1=C(C=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)N(C)C)NC(=O)C4=NC=CN=C4 |
| InChIKey | AGESNOWGWUMTQX-UHFFFAOYSA-N |
| Type | small molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight | 474.6 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| CCR5 | ccr5_human | Human | Chemokine receptors | Class A (Rhodopsin) | 28100.0 | 28100.0 | 28100.0 | |||