Labetalol
Function
DrugBank ID:
Description:
Labetalol is a racemic mixture of 2 diastereoisomers where dilevalol, the R,R' stereoisomer, makes up 25% of the mixture.Labetalol is formulated as an injection or tablets to treat hypertension.Labetalol was granted FDA approval on 1 August 1984. [DrugBank]
Targets:
Beta-1 adrenergic receptor (Humans); Beta-2 adrenergic receptor (Humans); Alpha-1 adrenergic receptors (Humans) [DrugBank]
Pharmacodynamics:
Labetalol antagonizes various adrenergic receptors to decrease blood pressure.5,3,4,7 The duration of action is long as it is generally given twice daily, and the therapeutic window is wide as patients usually take 200-400mg twice daily.8 Patients susceptible to bronchospasms should not use labetalol unless they are unresponsive to or intolerant of other antihypertensives.8 [DrugBank]
Structures
Docking in target protein
Off-target analysis based on ligand similarity (Homo sapiens)
Step 1 - Target prediction for Labetalol: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Labetalol in the SMILES input box.
Step 2 - Blind docking for Labetalol: 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 Labetalol to perform blind docking.