Cheminformatic Tools and Databases for Pharmacology

session 17918 - Total of 1 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
NABUMETONE (has an active metabolite)

NABUMETONE


ATC M01AX01

MUSCULO-SKELETAL
ANTIINFLAMMATORY
NSAID
ANALGESIC
ANTIPYRETIC

ORAL

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

PROSTAGLANDIN G/H SYNTHASE 1
PROSTAGLANDIN G/H SYNTHASE 2

PDB 3TAJ (CRYSTAL STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH NABUMETONE AT 1.7A RESOLUTION)

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

Download experimental 3D coordinates of NBO with added hydrogens

CYCLOOXYGENASE-2 INHIBITOR CHEMBL230 CYCLOOXYGENASE-2 P35354 PROSTAGLANDIN G/H SYNTHASE 2 HOMO SAPIENS ENZYME REDUCTASEEMA

ANSM (in French)

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Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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