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
ASCORBIC ACID

ASCORBIC ACID


ATC A11GA01
ATC G01AD03
ATC S01XA15
ATC A11GB01

METABOLISM
VITAMIN C
ANTISCORBUTIC
ANTIOXIDANTS
FREE RADICAL SCAVENGERS

INJECTION INTRAVENOUS ORAL

SOLUBILITY FREELY SOLUBLE IN WATER

PDB 1F9G (CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE COCRYSTALLIZED WITH ASCORBIC ACID)

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

Download experimental 3D coordinates of ASC with added hydrogens

Solute carrier family 23 member 1 Q9UHI7 (S23A1_HUMAN)EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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