☰
 

SMILES:
CC(C)CC1=NC=CS1

Aroma Description:
green, wasabi, privet, tomato, leaf, earthy, vegetable, metallic1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR5K1 -4.5 2 2.735 2  hazelnut, nutty, peanut, roasted, cocoa
OR2AG1 -4.2 2 1.1966 2  green_pea, galbanum, banana, honey, heliotrope, bell_pepper
 

SMILES:
CC(C)CC1=NC=CS1

Aroma Description:
green, wasabi, privet, tomato, leaf, earthy, vegetable, 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.) 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.