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
PYRIDOXINE

PYRIDOXINENATURAL MOLECULE (link)


ATC A11HA02
ATC J04AM08

METABOLISM
ANTI-INFLAMMATORY AGENTS
VITAMIN B6

INJECTION ORAL INTRAVENOUS

Cmax 192 NANOMOLAR

Tmax 5.7 HOUR

HT 0.5 HOUR

PDB 4C5L (STRUCTURE OF THE PYRIDOXAL KINASE FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH PYRIDOXAL)

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

Download experimental 3D coordinates of UEG with added hydrogens

Phosphoserine aminotransferase Q9Y617 (SERC_HUMAN)EMA

ANSM (in French)

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Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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