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
TETRACYCLINE

TETRACYCLINE


ATC J01AA07
ATC A01AB13
ATC D06AA04
ATC S01AA09
ATC S02AA08
ATC S03AA02
ATC J01RA08
ATC A02BD08
ATC A02BD02

ANTIINFECTIVES
ANTI-BACTERIAL AGENTS
ANTIPROTOZOALS
PROTEIN SYNTHESIS INHIBITORS
TETRACYCLINES
ANTIRICKETTSIAL
ANTIBIOTIC
ANTIAMEBIC
ANTIMALARIALS

ORAL OPHTHALMIC INJECTION TOPICAL PERIODONTAL

Cmax 1.68 MICROMOLAR

Tmax 3.3 HOUR

VD 78 LITER (65 KILOGRAM)

PPB 22 PERCENT

Cl 5.8 LITER / HOUR (65 KILOGRAM)

HT 9.4 HOUR

30S RIBOSOMAL PROTEIN

PDB 2HDN (TRYPSIN-MODIFIED ELONGATION FACTOR TU IN COMPLEX WITH TETRACYCLINE AT 2.8 ANGSTROM RESOLUTION)

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

Download experimental 3D coordinates of TAC with added hydrogens

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

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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