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
TOBRAMYCIN

TOBRAMYCINNATURAL MOLECULE (link)


ATC J01GB01
ATC S01AA12

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
AMINOGLYCOSIDES
TOPICAL ANTIBIOTIC
BY INHIBITING PROTEIN SYNTHESIS
TREATMENT OF CYSTIC FIBROSIS

INJECTION OPHTHALMIC INHALATION

VD 14.9 LITER (65 KILOGRAM)

PPB 0 PERCENT

Cl 6.24 LITER / HOUR (65 KILOGRAM)

HT 2 HOUR

SOLUBILITY SOLUBLE IN WATER

30S RIBOSOMAL PROTEIN S12
16S RRNA

PDB 4LFC (CRYSTAL STRUCTURE OF 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS)

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

Download experimental 3D coordinates of TOY with added hydrogens

70S RIBOSOME INHIBITOR CHEMBL2364022 70S RIBOSOME 23S RIBOSOMAL RNA PSEUDOMONAS AERUGINOSAEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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