Ligand Data
Ligand
| Name | NDT9513727 |
| SMILES | CCCCn1c(CN(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)c(nc1c1ccccc1)c1ccccc1 |
| InChIKey | ITACCRHKSPSKKL-UHFFFAOYSA-N |
| Type | small-molecule |
| External Links | |
| Structure pdb | 6C1Q 5O9H |
Structure
Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 11 |
| Molecular weight | 573.3 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |