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
PANTOTHENIC ACID DISCONTINUED (is an active metabolite)

PANTOTHENIC ACID


ATC A11HA31
ATC D03AX04

METABOLISM
VITAMIN B5
SUPPLEMENT
ANIMALS REQUIRE PANTOTHENIC ACID TO SYNTHESIZE COENZYME-A (COA)

INJECTION

PDB 3BF1 (TYPE III PANTOTHENATE KINASE FROM THERMOTOGA MARITIMA COMPLEXED WITH PANTOTHENATE AND ADP)

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

Download experimental 3D coordinates of PAU with added hydrogens

Unknown - more at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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