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
PROGESTERONE

PROGESTERONE


ATC G03DA04
ATC G03FA04

GENITO
CONTRACEPTIVES
PROGESTINS

INJECTION INTRAUTERINE ORAL VAGINAL

Cmax 193 NANOMOLAR

Tmax 1.7 HOUR

VD 5252 LITER (EQN)

PPB 97 PERCENT

Cl 104.6 LITER / HOUR

HT 34.8 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

PROGESTERONE RECEPTOR

PDB 4L1W (CRYSTAL STRUCTUER OF HUMAN 3-ALPHA HYDROXYSTEROID DEHYDROGENASE TYPE 3 IN COMPLEX WITH NADP+ AND PROGESTERONE)

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

Download experimental 3D coordinates of STR with added hydrogens

PROGESTERONE RECEPTOR AGONIST CHEMBL208 PROGESTERONE RECEPTOR P06401 PROGESTERONE RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C3EMA

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