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
DALFOPRISTIN

DALFOPRISTIN


ATC J01FG02

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
STREPTOGRAMINS
BACTERIAL RIBOSOME BLOCKER (EARLY PHASE OF PROTEIN SYNTHESIS)

INJECTION INTRAVENOUS

Cmax 11.5 MICROMOLAR

VD 15.6 LITER

PPB 18 PERCENT

Cl 46.8 LITER / HOUR (65 KILOGRAM)

HT 0.7 HOUR

VIRGINIAMYCIN ACETYLTRANSFERASE D (VATD)
RIBOSOME

PDB 4U26 (CRYSTAL STRUCTURE OF THE E. COLI RIBOSOME BOUND TO DALFOPRISTIN AND QUINUPRISTIN.)

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

Download experimental 3D coordinates of DOL with added hydrogens

BACTERIAL 70S RIBOSOME INHIBITOR CHEMBL2363135 BACTERIAL 70S RIBOSOME 23S RIBOSOMAL RNA BACTERIAANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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