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
SPECTINOMYCIN DISCONTINUED

SPECTINOMYCIN


ATC J01XX04

ANTIINFECTIVES
AMINOGLYCOSIDE
ANTIBIOTIC
ANTIBACTERIAL
PRODUCED BY A SPECIES OF SOIL MICROORGANISM DESIGNATED AS STREPTOMYCES SPECTABILIS

INJECTION

Cmax 481 MICROMOLAR (4 GRAM)

VD 8.4 LITER (65 KILOGRAM)

Cl 3.8 LITER / HOUR (65 KILOGRAM)

HT 1.8 HOUR

30S RIBOSOMAL PROTEIN

PDB OBSOLETE (- 2QOW CRYSTAL STRUCTURE OF THE BACTERIAL RIBOSOME FROM ESCHERICHIA COLI IN COMPLEX WITH SPECTINOMYCIN. THIS FILE CONTAINS THE 30S SUBUNIT OF THE SECOND 70S RIBOSOME, WITH SPECTINOMYCIN BOUND. THE ENTIRE CRYSTAL STRUCTURE CONTAINS TWO 70S RIBOSOMES.)

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

Download experimental 3D coordinates of SCM with added hydrogens

BACTERIAL 70S RIBOSOME INHIBITOR CHEMBL2363135 BACTERIAL 70S RIBOSOME 16S RIBOSOMAL RNA BACTERIAANSM (in French)

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