Ligand Data

Ligand

id 3599
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