SMILES:
CC(C)CS
Aroma Description:
cooked, mustard, sulfurous, vegetable1
SMILES:
CC(C)CS
Aroma Description:
cooked, mustard, sulfurous, vegetable
| Receptor | Dock Score | Affinity | A100 | 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.
A100: A measure of the degree of activation of the receptor. See
Ibrahim et al (2019).
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
3.) Mainland JD, Li YR, Zhou T, Liu WL, Matsunami H. Human olfactory receptor responses to odorants. Sci Data. 2015 Feb 3;2:150002. doi: 10.1038/sdata.2015.2. PMID: 25977809; PMCID: PMC4412152.