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 PHOSPHATE (has an active metabolite)

RIBOFLAVIN PHOSPHATENATURAL MOLECULE (link)


ATC S01XA26
ATC A11HA04

VITAMIN B2
SUPPLEMENT
METABOLISM
PARENTERAL NUTRITION

INJECTION INTRAVENOUS OPHTHALMIC

SOLUBILITY WATER SOLUBLE VITAMIN

CYTOCHROME B2 MITOCHONDRIAL

PDB 6CNY (2.3 ANGSTROM STRUCTURE OF PHOSPHODIESTERASE TREATED VIVID (COMPLEX WITH FMN))

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

Download experimental 3D coordinates of FMN with added hydrogens

Unknown

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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