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
FOLIC ACID (is an active metabolite)

FOLIC ACID


ATC B03AD04
ATC B03AD01
ATC B03AD02
ATC B03AD05
ATC B03AD03
ATC B03BB01
ATC V04CX02
ATC B03BB51
ATC B03AE02
ATC B03AE01

BLOOD
VITAMIN B9
DIETARY SUPPLEMENT

ORAL INJECTION INTRAVENOUS

PDB 4P3R (CRYOGENIC WT DHFR, TIME-AVERAGED ENSEMBLE)

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

Download experimental 3D coordinates of FOL with added hydrogens

Thymidylate synthase UNIPROT P04818 TYMS

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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