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
FONDAPARINUX

FONDAPARINUX


ATC B01AX05

BLOOD
ANTICOAGULANTS
ANTITHROMBOTICS
FACTOR XA INHIBITOR

SUBCUTANEOUS

Cmax 0.22 MICROMOLAR

Tmax 2 HOUR

F 100 PERCENT

VD 9 LITER

PPB 0 PERCENT

Cl 0.32 LITER / HOUR (EQN)

HT 19 HOUR

ANTITHROMBIN-III

PDB 4X7R (CRYSTAL STRUCTURE OF S. AUREUS TARM G117R MUTANT IN COMPLEX WITH FONDAPARINUX, ALPHA-GLCNAC-GLYCEROL AND UDP)

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

Download experimental 3D coordinates of NTO with added hydrogens

ANTITHROMBIN-III ACTIVATOR CHEMBL1950 ANTITHROMBIN-III P01008 ANTITHROMBIN-III HOMO SAPIENS SECRETEDANSM (in French)

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