Cheminformatic Tools and Databases for Pharmacology

session 42552 - Total of 1 hits - Display   hits per page:

Add another drug(s) by one keyword:
Exemple: “nib“ and click on the Search button (do not press Enter on the keyboard)

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
LOPINAVIR

LOPINAVIR


ATC J05AR10

ANTIINFECTIVES
ANTIVIRAL
ANTI-HIV
HIV PROTEASE INHIBITORS

ORAL

Cmax 15.6 MICROMOLAR

Tmax 4 HOUR

PPB 98.5 PERCENT

Cl 5.98 LITER / HOUR

HT 5.5 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

HIV-1 PROTEASE

PDB 2O4S (CRYSTAL STRUCTURE OF HIV-1 PROTEASE (Q7K) IN COMPLEX WITH LOPINAVIR)

LIGAND CODE = AB1 (link to the list of PDB complexes)

Download experimental 3D coordinates of AB1 with added hydrogens

Pol polyprotein UNIPROT Q72874 pol

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



Copyright © 2019 Université Côte d'Azur CNRS - All rights reserved
  | Contact |