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
DIGITOXIN DISCONTINUED

DIGITOXIN


ATC C01AA01
ATC C01AA04

CARDIOVASCULAR
CARDIOTONIC
ANTIARRHYTHMIC

INJECTION

F 70 PERCENT

VD 28 LITER (65 KILOGRAM)

PPB 25 PERCENT

Cl 0.16 LITER / HOUR (65 KILOGRAM)

HT 48 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

SODIUM-POTASSIUM ATPASE

PDB 7DDI (CRYSTAL STRUCTURES OF NA+,K+-ATPASE IN COMPLEX WITH DIGITOXIN)

LIGAND CODE = F9R (link to the list of PDB complexes)

Download experimental 3D coordinates of F9R with added hydrogens

SODIUM/POTASSIUM-TRANSPORTING ATPASE INHIBITOR CHEMBL2095186 SODIUM/POTASSIUM-TRANSPORTING ATPASE P05023 SODIUM/POTASSIUM-TRANSPORTING ATPASE SUBUNIT ALPHA-1 HOMO SAPIENS ENZYME HYDROLASEEMA

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