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
ZONISAMIDE

ZONISAMIDE


ATC N03AX15

NERVOUS SYSTEM
ANTICONVULSANT
CARBONIC ANHYDRASE INHIBITOR

ORAL

Tmax 4 HOUR

VD 94 LITER (65 KILOGRAM)

PPB 40 PERCENT

Cl 1.17 LITER / HOUR (65 KILOGRAM)

HT 63 HOUR

SOLUBILITY MODERATELY SOLUBLE IN WATER

SODIUM CHANNEL
VOLTAGE-DEPENDENT CALCIUM CHANNEL
GABA/BENZODIAZEPINE RECEPTOR IONOPHORE COMPLEX
CARBONIC ANHYDRASE

PDB 3PO7 (HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH ZONISAMIDE)

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

Download experimental 3D coordinates of ZON with added hydrogens

SODIUM CHANNEL ALPHA SUBUNIT BLOCKER CHEMBL2331043 SODIUM CHANNEL ALPHA SUBUNIT P35498 SODIUM CHANNEL PROTEIN TYPE 1 SUBUNIT ALPHA HOMO SAPIENS ION CHANNEL VGC VG NAEMA

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