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
THIOPENTAL DISCONTINUED

THIOPENTAL


ATC N01AF03
ATC N05CA19

NERVOUS SYSTEM
ANESTHETIC
GABA MODULATORS
HYPNOTICS AND SEDATIVES

RECTAL

VD 78 LITER (65 KILOGRAM)

PPB 80 PERCENT

Cl 32 LITER / HOUR (65 KILOGRAM)

HT 5.5 HOUR

GAMMA-AMINOBUTYRIC-ACID RECEPTOR

PDB 5L4E (X-RAY STRUCTURE OF THE 2-22' LOCALLY-CLOSED MUTANT OF GLIC IN COMPLEX WITH THIOPENTAL)

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

Download experimental 3D coordinates of EDP with added hydrogens

GABA-A RECEPTOR ANION CHANNEL POSITIVE ALLOSTERIC MODULATOR CHEMBL2093872 GABA-A RECEPTOR ANION CHANNEL P18505 GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT BETA-1 HOMO SAPIENS ION CHANNEL LGIC GABAAANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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