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
AZITHROMYCIN

AZITHROMYCIN


ATC J01FA10
ATC S01AA26
ATC J01RA07

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
MACROLIDES
ANTIMALARIALS

ORAL INJECTION OPHTHALMIC

Cmax 1.33 MICROMOLAR

F 34 PERCENT

VD 2021 LITER (65 KILOGRAM)

PPB 29 PERCENT

Cl 37.8 LITER / HOUR

HT 68 HOUR

50S RIBOSOMAL PROTEIN

PDB 5UXD (CRYSTAL STRUCTURE OF MACROLIDE 2'-PHOSPHOTRANSFERASE MPHH FROM BRACHYBACTERIUM FAECIUM IN COMPLEX WITH AZITHROMYCIN)

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

Download experimental 3D coordinates of ZIT with added hydrogens

BACTERIAL 70S RIBOSOME INHIBITOR CHEMBL2363135 BACTERIAL 70S RIBOSOME 23S RIBOSOMAL RNA BACTERIAEMA

ANSM (in French)

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Chemical Probes Portal

ChEMBL
BindingDB
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