Cheminformatic Tools and Databases for Pharmacology

session 23671 - Total of 2 hits - Display   hits per page:

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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

2 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 A11HA04
ATC S01XA26

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 DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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