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
LIOTHYRONINE

LIOTHYRONINE


ATC H03AA02
ATC H03AA03

HORMONES
THYROMIMETIC
THYROID HORMONE

ORAL INJECTION

F 95 PERCENT

HT 60 HOUR

THYROID HORMONE RECEPTOR

PDB 4LNW (CRYSTAL STRUCTURE OF TR-ALPHA BOUND TO T3 IN A SECOND SITE)

LIGAND CODE = T3 (link to the list of PDB complexes)

Download experimental 3D coordinates of T3 with added hydrogens

THYROID HORMONE RECEPTOR AGONIST CHEMBL2111462 THYROID HORMONE RECEPTOR P10827 THYROID HORMONE RECEPTOR ALPHA HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR1 NR1A NR1A1EMA

ANSM (in French)

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Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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