Ligand Data

Ligand

id 3254
Name salmeterol
SMILES OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O
InChIKey GIIZNNXWQWCKIB-UHFFFAOYSA-N
Type small-molecule
External Links
Structure pdb 6MXT
Ligand site mutations β2

Structure

Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 16
Molecular weight 415.3


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
β1 B0FL73 Guinea pig Adrenoceptors A (Rhodopsin) 5.0 5.0 5.0
β2 ADRB2 Guinea pig Adrenoceptors A (Rhodopsin) 3.5 3.5 3.5 2.7 11.1 31.6
β1 ADRB1 Human Adrenoceptors A (Rhodopsin) 501 1233 2512 200 944 5012
β3 ADRB3 Human Adrenoceptors A (Rhodopsin) 1000 1185 1259
β2 ADRB2 Human Adrenoceptors A (Rhodopsin) 0.2 100.4 1100.0 0.0 0.5 4.5