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
RIBOFLAVIN (is an active metabolite)

RIBOFLAVINNATURAL MOLECULE (link)


ATC A11HA04
ATC S01XA26

METABOLISM
PHOTOSENSITIZING AGENTS
VITAMIN B2
ANTIMALARIALS

INJECTION INTRAVENOUS

Cmax 1.2 MICROMOLAR (PMID8604671)

Tmax 2 HOUR

VD 39.6 LITER (65 KILOGRAM)

PPB 35.5 PERCENT

Cl 29.3 LITER / HOUR

HT 0.93 HOUR (EQN)

FLAVOKINASE
FLAVIN ADENIN DINUCLEOTIDE (FAD) SYNTHASE

PDB 2CCB (COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS)

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

Download experimental 3D coordinates of RBF with added hydrogens

Riboflavin kinase K Q969G6 (RIFK_HUMAN)ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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