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
AMIKACIN

AMIKACIN


ATC J01GB06
ATC D06AX12
ATC S01AA21
ATC J01RA06

ANTIINFECTIVES
ANTIBACTERIAL
ANTIBIOTIC
AMINOGLYCOSIDES

INJECTION INHALATION

Cmax 65 MICROMOLAR (500 MILLIGRAM)

VD 10 LITER (65 KILOGRAM)

PPB 12 PERCENT

Cl 4.3 LITER / HOUR (65 KILOGRAM)

HT 2.4 HOUR

30S RIBOSOMAL PROTEIN S12

PDB 4P20 (CRYSTAL STRUCTURES OF THE BACTERIAL RIBOSOMAL DECODING SITE COMPLEXED WITH AMIKACIN)

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

Download experimental 3D coordinates of AKN with added hydrogens

BACTERIAL 70S RIBOSOME INHIBITOR CHEMBL2363135 BACTERIAL 70S RIBOSOME 16S RIBOSOMAL RNA BACTERIAEMA

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