SMILES:
N(C)(C)C
Aroma Description:
ammonia, fishy, prawn1
SMILES:
N(C)(C)C
Aroma Description:
ammonia, fishy, prawn
| 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.) Qian Li Deorphanization of Olfactory Trace Amine-Associated Receptors Chapter in Methods in Molecular Biology · June 2018 DOI: 10.1007/978-1-4939-8609-5_2
3.) Liberles SD, Buck LB. A second class of chemosensory receptors in the olfactory epithelium. Nature. 2006 Aug 10;442(7103):645-50. doi: 10.1038/nature05066. Epub 2006 Jul 30. PMID: 16878137.
4.) Wallrabenstein I, Singer M, Panten J, Hatt H, Gisselmann G. Timberol® Inhibits TAAR5-Mediated Responses to Trimethylamine and Influences the Olfactory Threshold in Humans. PLoS One. 2015;10(12):e0144704. Published 2015 Dec 18. doi:10.1371/journal.pone.0144704
5.) Pacalon J, Belloir C, Fiorucci S, Briand L, Topin J. TAARs response to amine are largely affected by sequence variants. Submitted.
6.) Schmiedeberg K, Shirokova E, Weber HP, Schilling B, Meyerhof W, Krautwurst D. Structural determinants of odorant recognition by the human olfactory receptors OR1A1 and OR1A2. J Struct Biol. 2007 Sep;159(3):400-12. doi: 10.1016/j.jsb.2007.04.013. Epub 2007 May 25. PMID: 17601748.