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
ERYTHROMYCIN (is an active metabolite)

ERYTHROMYCIN


ATC D10AF02
ATC J01FA01
ATC S01AA17
ATC D10AF52

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL

INJECTION OPHTHALMIC TOPICAL ORAL

Cmax 2.29 MICROMOLAR (250 MILLIGRAM ORAL)

Tmax 3 HOUR

VD 61.7 LITER (65 KILOGRAM)

PPB 90 PERCENT

Cl 21.8 LITER / HOUR (65 KILOGRAM)

HT 2 HOUR

50S RIBOSOMAL PROTEIN

PDB 4M83 (ENSEMBLE REFINEMENT OF PROTEIN CRYSTAL STRUCTURE (2IYF) OF MACROLIDE GLYCOSYLTRANSFERASES OLED COMPLEXED WITH UDP AND ERYTHROMYCIN A)

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

Download experimental 3D coordinates of ERY 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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