SMILES:
C=CCS
Aroma Description:
alliaceous, sulfurous, garlic, onion, roasted, cooked_onion, grilled, charred, meaty1
SMILES:
C=CCS
Aroma Description:
alliaceous, sulfurous, garlic, onion, roasted, cooked_onion, grilled, charred, meaty
| Receptor | Agonist? | Dock Score | Pose1 | LSRB - LSP | Correlated Perceptual Qualities |
|---|
Dock Score: This is a measure of whether the algorithm thinks the odorant is an agonist of the receptor.
Affinity: The binding affinity, in kJ/mol, of the ligand docked in the active or inactive model, whichever is greater.
LSP: Ligand Surface Polarity, i.e. how much of the ligand's surface is hydrophilic.
LSRB: Ligand Surface Receptor Binding, i.e. how much of the ligand's surface interacts with receptor atoms.
1.) The Good Scents Company
2.) Shengju Li, Lucky Ahmed, Ruina Zhang, Yi Pan, Hiroaki Matsunami, Jessica L. Burger, Eric Block, Victor S. Batista, and Hanyi Zhuang Smelling Sulfur: Copper and Silver Regulate the Response of Human Odorant Receptor OR2T11 to Low-Molecular-Weight Thiols Journal of the American Chemical Society 2016 138 (40), 13281-13288 DOI: 10.1021/jacs.6b06983