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
LINEZOLID

LINEZOLID


ATC J01XX08

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
PROTEIN SYNTHESIS INHIBITORS
OXAZOLIDINONE
BINDS 23S RIBOSOMAL RNA OF THE 50S SUBUNIT

ORAL INTRAVENOUS

Cmax 44.8 MICROMOLAR

Tmax 0.51 HOUR

F 100 PERCENT

VD 45 LITER

PPB 31 PERCENT

Cl 7.38 LITER / HOUR

HT 4.8 HOUR

50S RIBOSOMAL SUBUNIT

PDB 4WFA (THE CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT OF STAPHYLOCOCCUS AUREUS IN COMPLEX WITH LINEZOLID)

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

Download experimental 3D coordinates of ZLD 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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