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
OXYPHENBUTAZONE DISCONTINUED

OXYPHENBUTAZONE


ATC M01AA03
ATC M02AA04
ATC S01BC02

MUSCULO-SKELETAL
ANTIRHEUMATIC
ANTIINFLAMMATORY
NSAID
INHIBITOR

ORAL

PDB 2BXB (HUMAN SERUM ALBUMIN COMPLEXED WITH OXYPHENBUTAZONE)

LIGAND CODE = OPB_2BXB (link to the list of PDB complexes)

Download experimental 3D coordinates of OPB_2BXB with added hydrogens

Cyclooxygenase UNIPROT P23219 PTGS1

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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