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
ADENOSINE

ADENOSINENATURAL MOLECULE (link)


ATC C01EB10

CARDIOVASCULAR
ANTI-ARRHYTHMIA AGENTS
VASODILATOR AGENTS
ADENOSINE PRODUCES A DIRECT NEGATIVE CHRONOTROPIC, DROMOTROPIC AND INOTROPIC EFFECT ON THE HEART

INJECTION INTRAVENOUS

SOLUBILITY SOLUBLE IN WATER

A1 AND A2 ADENOSINE RECEPTOR
ADENOSINE DEAMINASE
ADENOSINE KINASE

PDB 4OGR (CRYSTAL STRUCTURE OF P-TEFB COMPLEX WITH AFF4 AND TAT)

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

Download experimental 3D coordinates of ADN with added hydrogens

Adenosine receptor A2a UNIPROT P29274 ADORA2A -- Adenosine receptor A1 UNIPROT P30542 ADORA1

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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