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
TELBIVUDINE DISCONTINUED

TELBIVUDINE


ATC J05AF11

ANTIINFECTIVES
ANTIVIRAL AGENTS
REVERSE TRANSCRIPTASE INHIBITORS
TREATMENT OF HEPATITIS B
THYMIDINE NUCLEOSIDE ANALOGUE
PHOSPHORYLATED BY CELLULAR KINASES TO THE ACTIVE TRIPHOSPHATE FORM

ORAL

Cmax 15.2 MICROMOLAR (600 MILLIGRAM)

Tmax 2 HOUR

PPB 3.3 PERCENT

HT 44.5 HOUR

SOLUBILITY SPARINGLY SOLUBLE IN WATER

HBV DNA POLYMERASE

PDB 3QEO (S74E-R104M-D133A DCK VARIANT IN COMPLEX WITH L-DEOXYTHYMIDINE AND UDP)

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

Download experimental 3D coordinates of LLT with added hydrogens

PROTEIN P Q67889 PROTEIN P HEPATITIS B VIRUS UNCLASSIFIEDANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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