Cheminformatic Tools and Databases for Pharmacology

session 83437 - Total of 2 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
AMPRENAVIR DISCONTINUED (is an active metabolite)

AMPRENAVIR


ATC J05AE05

ANTIINFECTIVES
ENZYME INHIBITOR (HIV PROTEASE)
ANTIVIRAL

ORAL

Cmax 8.23 MICROMOLAR

Tmax 1.3 HOUR

PPB 90 PERCENT

HT 7.7 HOUR

HIV-1 PROTEASE

PDB 4JEC (JOINT NEUTRON AND X-RAY STRUCTURE OF PER-DEUTERATED HIV-1 PROTEASE IN COMPLEX WITH CLINICAL INHIBITOR AMPRENAVIR)

LIGAND CODE = 478 (link to the list of PDB complexes)

Download experimental 3D coordinates of 478 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

2 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
FOSAMPRENAVIR (has an active metabolite)

FOSAMPRENAVIR


ATC J05AE07

ANTIINFECTIVES
ENZYME INHIBITOR (HIV PROTEASE)
ANTIVIRAL
RAPIDLY AND ALMOST COMPLETELY HYDROLYSED TO AMPRENAVIR

ORAL

SOLUBILITY 0.31 MILLIGRAM / MILLILITER

HIV-1 PROTEASE

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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