Lurasidone
Function
DrugBank ID:
Description:
Lurasidone is an atypical antipsychotic developed by Dainippon Sumitomo Pharma. It was approved by the U.S. Food and Drug Administration (FDA) for treatment of schizophrenia on October 29, 2010 and is currently pending approval for the treatment of bipolar disorder in the United States. [DrugBank]
Targets:
Dopamine D2 receptor (Humans); 5-hydroxytryptamine receptor 2A (Humans); 5-hydroxytryptamine receptor 7 (Humans); 5-hydroxytryptamine receptor 1A (Humans); Alpha-2C adrenergic receptor (Humans); Alpha-2A adrenergic receptor (Humans) [DrugBank]
Pharmacodynamics:
Lurasidone is a benzothiazol derivative that is an antagonist and binds with high affinity to Dopamine-2 (D2) (Ki = 0.994 nM), 5-HT2A (Ki = 0.47 nM) receptors, and 5-HT7 receptors (Ki = 0.495 nM). It also binds with moderate affinity to alpha-2C adrenergic receptors (Ki = 10.8 nM) and is a partial agonist at 5-HT1A receptors (Ki = 6.38 nM). Its actions on histaminergic and muscarinic receptors are negligible. [DrugBank]
Structures
Docking in target protein
Off-target analysis based on ligand similarity (Homo sapiens)
Step 1 - Target prediction for Lurasidone: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Lurasidone in the SMILES input box.
Step 2 - Blind docking for Lurasidone: 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 Lurasidone to perform blind docking.