Ligand Data
Ligand
| Name | tiotropium |
| SMILES | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 |
| InChIKey | LERNTVKEWCAPOY-FPISHFTHSA-N |
| Type | small-molecule |
| External Links | |
| Structure pdb | 4DAJ 4U14 4U15 6OL9 5DSG |
Structure
Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight | 392.1 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |