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
TIPRANAVIR

TIPRANAVIR


ATC J05AE09

ANTIINFECTIVES
HIV PROTEASE INHIBITOR
ANTIVIRAL

ORAL

Cmax 94.8 MICROMOLAR (500 MILLIGRAM)

Tmax 2.9 HOUR

VD 8.5 LITER

PPB 99.9 PERCENT

Cl 1.15 LITER / HOUR

HT 5.5 HOUR

SOLUBILITY INSOLUBLE IN WATER

HIV-1 PROTEASE

PDB 3SPK (TIPRANAVIR IN COMPLEX WITH A HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE VARIANT)

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

Download experimental 3D coordinates of TPV with added hydrogens

HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE INHIBITOR CHEMBL243 HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE Q72874 POL POLYPROTEIN HUMAN IMMUNODEFICIENCY VIRUS 1 ENZYME PROTEASE ASPARTIC AA A2AANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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