Cheminformatic Tools and Databases for Pharmacology

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1 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
THIORIDAZINE

THIORIDAZINE


ATC N05AC02

NERVOUS SYSTEM
ANTIPSYCHOTIC
MANAGEMENT OF SCHIZOPHRENIC PATIENTS
ANXIOLYTIC
DOPAMINE ANTAGONISTS
PHENOTHIAZINES

ORAL

Cmax 0.55 MICROMOLAR

HT 15 HOUR

DOPAMINE RECEPTOR
5-HYDROXYTRYPTAMINE 2A RECEPTOR
ALPHA-1A ADRENERGIC RECEPTOR

PDB 3TBG (HUMAN CYTOCHROME P450 2D6 WITH TWO THIORIDAZINES BOUND IN ACTIVE SITE)

LIGAND CODE = RTZ (link to the list of PDB complexes)

Download experimental 3D coordinates of RTZ with added hydrogens

D2-LIKE DOPAMINE RECEPTOR ANTAGONIST CHEMBL2331075 D2-LIKE DOPAMINE RECEPTOR P14416 D(2) DOPAMINE RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR DOPAMINE RECEPTORANSM (in French)

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