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
BENZTROPINE

BENZTROPINE


ATC N04AC01

NERVOUS SYSTEM
ANTIPARKINSONIAN
ANTIDYSKINETICS
MUSCARINIC ANTAGONISTS
DOPAMINE TRANSPORTER LIGANDS (PMID18786172)

ORAL INJECTION

SOLUBILITY SOLUBLE IN WATER

DOPAMINE TRANSPORTER
MUSCARINIC ACETYLCHOLINE RECEPTOR

PDB 6F6S (CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH BENZTROPINE)

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

Download experimental 3D coordinates of CXQ with added hydrogens

MUSCARINIC ACETYLCHOLINE RECEPTOR M2 P08172 MUSCARINIC ACETYLCHOLINE RECEPTOR M2 HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR ACETYLCHOLINE RECEPTORANSM (in French)

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