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
KETAMINE

KETAMINE


ATC N01AX03

NERVOUS SYSTEM
ANESTHETIC
ANALGESICS
N-METHYL-D-ASPARTATE (NMDA) RECEPTORS ANTAGONIST
ANTIDEPRESSANT

INJECTION

VD 188 LITER (65 KILOGRAM)

PPB 53 PERCENT

Cl 74 LITER / HOUR (65 KILOGRAM)

HT 2.8 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

GLUTAMATE [NMDA] RECEPTOR
AMPA RECEPTOR

PDB 4F8H (X-RAY STRUCTURE OF THE ANESTHETIC KETAMINE BOUND TO THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL)

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

Download experimental 3D coordinates of RKE with added hydrogens

GLUTAMATE [NMDA] RECEPTOR NEGATIVE ALLOSTERIC MODULATOR CHEMBL2094124 GLUTAMATE [NMDA] RECEPTOR O15399 GLUTAMATE RECEPTOR IONOTROPIC, NMDA 2D HOMO SAPIENS ION CHANNEL LGIC GLUT NMDAANSM (in French)

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