SMILES:
CSSSCCC
Aroma Description:
sulfurous, onion, garlic, green, metallic1
SMILES:
CSSSCCC
Aroma Description:
sulfurous, onion, garlic, green, metallic
| 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.) Franziska Noe, Johannes Polster, Christiane Geithe, Matthias Kotthoff, Peter Schieberle, and Dietmar Krautwurst OR2M3: A Highly Specific and Narrowly Tuned Human Odorant Receptor for the Sensitive Detection of Onion Key Food Odorant 3-Mercapto-2-methylpentan-1-ol Chemical Senses, 2017, Vol 42, 195–210 doi:10.1093/chemse/bjw118
3.) Franziska Haag, Antonella Di Pizio, Dietmar Krautwurst, The key food odorant receptive range of broadly tuned receptor OR2W1. Food Chemistry 375 (2022) 131680