Amitriptyline
Function
DrugBank ID:
Description:
Amitriptyline hydrochloride, also known asElavil, is a tricyclic antidepressant (TCA) with analgesic properties, widely used to treat depression and neuropathic pain. It was originally approved by the FDA in 1977 and manufactured by Sandoz. [DrugBank]
Targets:
Sodium-dependent noradrenaline transporter (Humans); Sodium-dependent serotonin transporter (Humans); 5-hydroxytryptamine receptor 2A (Humans); 5-hydroxytryptamine receptor 1A (Humans); Delta-type opioid receptor (Humans); Kappa-type opioid receptor (Humans); High affinity nerve growth factor receptor (Humans); BDNF/NT-3 growth factors receptor (Humans); Alpha-1A adrenergic receptor (Humans); Alpha-1D adrenergic receptor (Humans); Alpha-2A adrenergic receptor (Humans); Histamine H1 receptor (Humans); Potassium voltage-gated channel subfamily KQT member 2 (Humans); Potassium voltage-gated channel subfamily A member 1 (Humans); Histamine H2 receptor (Humans); Histamine H4 receptor (Humans); Sigma non-opioid intracellular receptor 1 (Humans); 5-hydroxytryptamine receptor 2C (Humans); Alpha-1B adrenergic receptor (Humans); 5-hydroxytryptamine receptor 7 (Humans); 5-hydroxytryptamine receptor 1D (Humans); Mu-type opioid receptor (Humans); 5-hydroxytryptamine receptor 1B (Humans); 5-hydroxytryptamine receptor 6 (Humans); Potassium voltage-gated channel subfamily KQT member 3 (Humans); 5-hydroxytryptamine receptor 1C (Rat); Muscarinic acetylcholine receptor (Humans); HERG human cardiac K+ channel (Humans) [DrugBank]
Pharmacodynamics:
Effects in pain and depression [DrugBank]
Structures
Docking in target protein
Off-target analysis based on ligand similarity (Homo sapiens)
Step 1 - Target prediction for Amitriptyline: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Amitriptyline in the SMILES input box.
Step 2 - Blind docking for Amitriptyline: CB-Dock
Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of Amitriptyline to perform blind docking.