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
DISOPYRAMIDE

DISOPYRAMIDE


ATC C01BA03

CARDIOVASCULAR
ANTIARRHYTHMIC
SODIUM CHANNEL BLOCKERS
POTASSIUM CHANNEL BLOCKERS

ORAL

Cmax 14.1 MICROMOLAR (PMID18621671)

Tmax 2 HOUR

VD 33.8 LITER (65 KILOGRAM)

PPB 65 PERCENT

Cl 3.5 LITER / HOUR (65 KILOGRAM)

HT 6.7 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

VOLTAGE GATED SODIUM CHANNEL
KV1.5

PDB 3APW (CRYSTAL STRUCTURE OF THE A VARIANT OF HUMAN ALPHA1-ACID GLYCOPROTEIN AND DISOPYRAMIDE COMPLEX)

LIGAND CODE = DP0 (link to the list of PDB complexes)

Download experimental 3D coordinates of DP0 with added hydrogens

SODIUM CHANNEL SUBUNIT BETA-2 O60939 SODIUM CHANNEL SUBUNIT BETA-2 HOMO SAPIENS AUXILIARY TRANSPORT PROTEIN NA BETAANSM (in French)

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