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2,3-diethylpyrazine

SMILES:
CCC1=NC=CN=C1CC

Aroma Description:
nutty, pepper, raw1

Receptor Expression log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR5K1 100 -5.03 2, -4.2 3 9.6581 3  hazelnut, nutty, peanut, roasted, almond
OR2AG1 100 -3 3 0.6838 3  green_pea, galbanum, sweet, honey, pepper, heliotrope, banana
 

2,3-diethylpyrazine

SMILES:
CCC1=NC=CN=C1CC

Aroma Description:
nutty, pepper, raw

Receptor Expr.% Agonist? Dock Score Known agonist Correlated Perceptual Qualities

Dock Score is a measure of how strongly the algorithm thinks the odorant is likely to be an agonist of the receptor.
Receptors in italics are "orphans", i.e. receptors whose agonists have not been identified experimentally.

1.) The Good Scents Company

2.) 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

3.) Françoise, W., Philippeau, M., Veithen, A., Chatelain, P., & Quesnel, Y. (2016, May). Functional characterization of human olfactory receptors responding to pyrazine odorants. In CHEMICAL SENSES (Vol. 41, No. 4, pp. 433-434). GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND: OXFORD UNIV PRESS.
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Code version:
 

Docker used:
 

Files:
Active model: text 3D download
Inactive model: text 3D download
Active dock: text 3D download
Inactive dock: text 3D download
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