SMILES:
CCC(C)C(=O)[O-]
Aroma Description:
pungent, acidic, cheesy, roquefort, fruity, dirty, fermented1
SMILES:
CCC(C)C(=O)[O-]
Aroma Description:
pungent, acidic, cheesy, roquefort, fruity, dirty, fermented
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.) Pierre Chatelain, Alex Veithen, Francoise Wilkin, and Magali Philippeau Deorphanization and Characterization of Human Olfactory Receptors in Heterologous Cells Chem Biodivers. 2014 Nov;11(11):1764-81. doi: 10.1002/cbdv.201400083. PMID: 25408322.
3.) Halperin Kuhns, V. L., Sanchez, J., Sarver, D. C., Khalil, Z., Rajkumar, P., Marr, K. A., & Pluznick, J. L. (2019). Characterizing novel olfactory receptors expressed in the murine renal cortex. American Journal of Physiology-Renal Physiology, 317(1), F172-F186.