SMILES:
CC1=C(SC=N1)CCOC(=O)C
Aroma Description:
meaty, beef, juice, beefy1
SMILES:
CC1=C(SC=N1)CCOC(=O)C
Aroma Description:
meaty, beef, juice, beefy
| 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.) B.L. Cook, D. Steuerwald, L. Kaiser, J. Graveland-Bikker, M. Vanberghem, A.P. Berke, K. Herlihy, H. Pick, H. Vogel, S. Zhang, Large-scale production and study of a synthetic G protein-coupled receptor: Human olfactory receptor 17-4, Proc. Natl. Acad. Sci. USA 106 (2009) 11925-11930