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
L-GLUTAMINE

L-GLUTAMINENATURAL MOLECULE (link)


ATC A16AA03

BLOOD
AMINOACID INDICATED TO REDUCE THE ACUTE COMPLICATIONS OF SICKLE CELL DISEASE (SCD)
L-GLUTAMINE MAY IMPROVE THE NAD REDOX POTENTIAL IN SICKLE RBCS THROUGH INCREASING THE AVAILABILITY OF REDUCED GLUTATHIONE

ORAL

Cmax 1028 MICROMOLAR

Tmax 0.5 HOUR

VD 13 LITER (65 KILOGRAM)

HT 1 HOUR

PDB 2F2A (STRUCTURE OF TRNA-DEPENDENT AMIDOTRANSFERASE GATCAB COMPLEXED WITH GLN)

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

Download experimental 3D coordinates of GLN with added hydrogens

Unknown - more at DrugCentralEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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