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
PILOCARPINE

PILOCARPINENATURAL MOLECULE (link)


ATC N07AX01
ATC S01EB01
ATC S01EB51

NERVOUS SYSTEM
CHOLINERGIC
ANTIGLAUCOMA
MIOTICS
MUSCARINIC AGONISTS

OPHTHALMIC ORAL

Cmax 197 NANOMOLAR

Tmax 0.85 HOUR

PPB 0 PERCENT

HT 1.35 HOUR

SOLUBILITY SOLUBLE IN WATER

MUSCARINIC ACETYLCHOLINE RECEPTOR M1
MUSCARINIC ACETYLCHOLINE RECEPTOR M2

PDB 3T3R (HUMAN CYTOCHROME P450 2A6 IN COMPLEX WITH PILOCARPINE)

LIGAND CODE = 9PL (link to the list of PDB complexes)

Download experimental 3D coordinates of 9PL with added hydrogens

MUSCARINIC ACETYLCHOLINE RECEPTOR M1 AGONIST CHEMBL216 MUSCARINIC ACETYLCHOLINE RECEPTOR M1 P11229 MUSCARINIC ACETYLCHOLINE RECEPTOR M1 HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR ACETYLCHOLINE RECEPTOREMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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