Cheminformatic Tools and Databases for Pharmacology

session 42662 - 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
ADEFOVIR (is an active metabolite)

ADEFOVIR


ATC J05AF08

ANTIINFECTIVES
ANTIVIRAL AGENTS
REVERSE TRANSCRIPTASE INHIBITORS
TREATMENT OF CHRONIC HEPATITIS B

-

Cmax 36.7 NANOMOLAR

Tmax 1.75 HOUR

F 59 PERCENT

VD 25.4 LITER (65 KILOGRAM)

PPB 4 PERCENT

Cl 14.4 LITER / HOUR (65 KILOGRAM)

HT 7.48 HOUR

HBV REVERSE TRANSCRIPTASE

PDB 2G1A (CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN APHA CLASS B ACID PHOSPHATASE/PHOSPHOTRANSFERASE)

LIGAND CODE = 5HG (link to the list of PDB complexes)

Download experimental 3D coordinates of 5HG with added hydrogens

DNA POLYMERASE/REVERSE TRANSCRIPTASE INHIBITOR CHEMBL2362994 DNA POLYMERASE/REVERSE TRANSCRIPTASE Q9IF40 PROTEIN P HEPATITIS B VIRUS ENZYME TRANSFERASEANSM (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
ADEFOVIR DIPIVOXIL (has an active metabolite)

ADEFOVIR DIPIVOXIL


ATC J05AF08

ANTIINFECTIVES
ANTIVIRAL AGENTS
REVERSE TRANSCRIPTASE INHIBITORS
TREATMENT OF CHRONIC HEPATITIS B

ORAL

SOLUBILITY 0.4 MILLIGRAM / MILLILITER AT PH 7.2

HBV REVERSE TRANSCRIPTASE

DNA POLYMERASE/REVERSE TRANSCRIPTASE INHIBITOR CHEMBL2362994 DNA POLYMERASE/REVERSE TRANSCRIPTASE Q9IF40 PROTEIN P HEPATITIS B VIRUS ENZYME TRANSFERASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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