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
MENADIOL DISCONTINUED

MENADIOL

VITAMIN K3

INJECTION ORAL

PDB 4HQM (THE CRYSTAL STRUCTURE OF QSRR-MENADIONE COMPLEX)

LIGAND CODE = 17Z (link to the list of PDB complexes)

Download experimental 3D coordinates of 17Z 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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