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
ACETYLCHOLINE

ACETYLCHOLINE


ATC S01EB09

SENSORY
ACETYLCHOLINESTERASE INHIBITOR
CHOLINERGIC AGENTS
VASODILATOR AGENTS
PARASYMPATHOMIMETIC
ACETYLCHOLINE RECEPTOR: MUSCARINIC ACHRS AND NICOTINIC ACHRS
AQUEOUS SOLUTIONS OF ACETYLCHOLINE CHLORIDE ARE UNSTABLE

OPHTHALMIC MUSCARINIC ACHRS
NICOTINIC ACHRS
ACETYLCHOLINESTERASE

PDB 2XZ5 (MMTS-MODIFIED Y53C MUTANT OF APLYSIA ACHBP IN COMPLEX WITH ACETYLCHOLINE)

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

Download experimental 3D coordinates of ACH 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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