☰
 

SMILES:
CCC1=NC(=CN=C1C)C

Aroma Description:

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR5K1 -5.83 1 -  hazelnut, nutty, peanut, roasted, cocoa
 

SMILES:
CCC1=NC(=CN=C1C)C

Aroma Description:

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.) Alessandro Nicoli, Franziska Haag, Patrick Marcinek, Ruiming He, Johanna Kreißl, Jörg Stein, Alessandro Marchetto, Andreas Dunkel, Thomas Hofmann, Dietmar Krautwurst, Antonella Di Pizio Modeling the Orthosteric Binding Site of the G Protein-Coupled Odorant Receptor OR5K1. bioRxiv 2022.06.01.494157; doi: https://doi.org/10.1101/2022.06.01.494157