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
CARBACHOL

CARBACHOL


ATC N07AB01
ATC S01EB02

NERVOUS SYSTEM
CHOLINERGIC (PARASYMPATHOMIMETIC) AGENT
REDUCTION OF INTRAOCULAR PRESSURE
VASODILATATOR
INDUCES RELEASE OF CA2+ FROM INTRACELLULAR STORES WHICH MAY BE MODULATED BY MITOCHONDRIA

INTRAOCULAR

PDB 1UV6 (X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH CARBAMYLCHOLINE)

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

Download experimental 3D coordinates of CCE with added hydrogens

MUSCARINIC ACETYLCHOLINE RECEPTOR M3 AGONIST CHEMBL245 MUSCARINIC ACETYLCHOLINE RECEPTOR M3 P20309 MUSCARINIC ACETYLCHOLINE RECEPTOR M3 HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR ACETYLCHOLINE RECEPTORANSM (in French)

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