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
M FLUTAMIDE (is an active metabolite)

FLUTAMIDE


ATC L02BB01

ANTINEOPLASTIC
ANTIANDROGENIC

-

Cmax 7.8 MICROMOLAR

Tmax 2 HOUR

PPB 93 PERCENT

HT 6 HOUR

ANDROGEN RECEPTOR

PDB 4OH6 (CRYSTAL STRUCTURE OF T877A-AR-LBD BOUND WITH CO-REGULATOR PEPTIDE)

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

Download experimental 3D coordinates of HFT with added hydrogens

ANDROGEN RECEPTOR ANTAGONIST CHEMBL1871 ANDROGEN RECEPTOR P10275 ANDROGEN RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C4ANSM (in French)

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