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
MIFEPRISTONE

MIFEPRISTONE


ATC G03XB01
ATC G03XB51

GENITO
CONTRACEPTIVE
ANTIPROGESTERONE
USED TO END AN EARLY PREGNANCY

ORAL

Cmax 4.6 NANOMOLAR

Tmax 1.5 HOUR

F 69 PERCENT

PPB 98 PERCENT

HT 18 HOUR

SOLUBILITY POORLY SOLUBLE IN WATER

PROGESTERONE RECEPTOR

PDB 3H52 (CRYSTAL STRUCTURE OF THE ANTAGONIST FORM OF HUMAN GLUCOCORTICOID RECEPTOR)

LIGAND CODE = 486 (link to the list of PDB complexes)

Download experimental 3D coordinates of 486 with added hydrogens

GLUCOCORTICOID RECEPTOR ANTAGONIST CHEMBL2034 GLUCOCORTICOID RECEPTOR P04150 GLUCOCORTICOID RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C1EMA

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