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
VITAMIN A (is an active metabolite)

VITAMIN ANATURAL MOLECULE (link)


ATC A11CA01
ATC V04CB01

METABOLISM
ANTI-ACNE AGENTS
VITAMIN A
ANTIXEROPHTHALMIC VITAMIN

INJECTION INTRAVENOUS ORAL

PDB 1EII (NMR STRUCTURE OF HOLO CELLULAR RETINOL-BINDING PROTEIN II)

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

Download experimental 3D coordinates of RTL with added hydrogens

SECRETED RET4_HUMAN P02753ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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