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
MINOCYCLINE

MINOCYCLINENATURAL MOLECULE (link)


ATC J01AA08
ATC A01AB23

ANTIINFECTIVES
ANTIBACTERIAL
ANTIBIOTIC
TETRACYCLINES

ORAL INJECTION DENTAL TOPICAL

Cmax 9.14 MICROMOLAR (200 MILLIGRAM)

VD 104 LITER (65 KILOGRAM)

Cl 4.68 LITER / HOUR (65 KILOGRAM)

HT 19 HOUR

30S RIBOSOMAL PROTEIN

PDB 4A99 (STRUCTURE OF THE TETRACYCLINE DEGRADING MONOOXYGENASE TETX IN COMPLEX WITH MINOCYCLINE)

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

Download experimental 3D coordinates of MIY with added hydrogens

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

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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