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
CALCIFEDIOL

CALCIFEDIOLNATURAL MOLECULE (link)


ATC A11CC06

METABOLISM
CA REGULATOR
ANTIHYPOCALCEMIC AGENTS

ORAL 25(OH)D-1ALPHA-HYDROXYLASE

PDB 1J78 (CRYSTALLOGRAPHIC ANALYSIS OF THE HUMAN VITAMIN D BINDING PROTEIN)

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

Download experimental 3D coordinates of VDY with added hydrogens

VITAMIN D RECEPTOR AGONIST CHEMBL1977 VITAMIN D RECEPTOR P11473 VITAMIN D3 RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR1 NR1I NR1I1ANSM (in French)

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