Cheminformatic Tools and Databases for Pharmacology

session 35798 - 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
ELVITEGRAVIR

ELVITEGRAVIR


ATC J05AJ02
ATC J05AR18
ATC J05AR09

ANTIINFECTIVES
TREATMENT OF HIV-1 INFECTION
INHIBITOR

ORAL

Cmax 3.8 MICROMOLAR

Tmax 4 HOUR

PPB 98 PERCENT

HT 12.9 HOUR

SOLUBILITY LESS THAN 0.3 MICROGRAMS PER ML IN WATER

VIRAL INTEGRASE

PDB 3L2U (CRYSTAL STRUCTURE OF THE PROTOTYPE FOAMY VIRUS (PFV) INTASOME IN COMPLEX WITH MAGNESIUM AND GS9137 (ELVITEGRAVIR))

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

Download experimental 3D coordinates of ELV with added hydrogens

Integrase UNIPROT Q7ZJM1 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 |