Cheminformatic Tools and Databases for Pharmacology

session 36623 - 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
GRAZOPREVIR

GRAZOPREVIR


ATC J05AP54
ATC J05AP11

ANTIINFECTIVES
HEPATITIS C VIRUS (HCV) NS3/4A PROTEASE INHIBITOR

ORAL

Cmax 215 NANOMOLAR

Tmax 2 HOUR

VD 1250 LITER

PPB 98.8 PERCENT

HT 31 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

NS3/4A PROTEASE

PDB 3SUF (CRYSTAL STRUCTURE OF NS3/4A PROTEASE VARIANT D168A IN COMPLEX WITH MK-5172)

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

Download experimental 3D coordinates of SUE with added hydrogens

Genome polyprotein P27958 (POLG_HCV77)ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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