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
LACOSAMIDE

LACOSAMIDE


ATC N03AX18

NERVOUS SYSTEM
ANTIEPILEPTIC
PARTIAL-ONSET SEIZURES
FUNCTIONALIZED AMINO ACID
VOLTAGE GATED SODIUM CHANNELS INHIBITOR

ORAL INTRAVENOUS

F 100 PERCENT

VD 39 LITER (65 KILOGRAM)

PPB 15 PERCENT

Cl 2 LITER / HOUR (EQN)

HT 13 HOUR

SOLUBILITY SPARINGLY SOLUBLE IN WATER

VOLTAGE GATED SODIUM CHANNELS
COLLAPSIN RESPONSE MEDIATOR PROTEIN-2 (CRMP-2)

PDB 8S9B (CRYO-EM STRUCTURE OF NAV1.7 WITH LCM)

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

Download experimental 3D coordinates of LQO with added hydrogens

Sodium channel protein type 9 subunit alpha UNIPROT Q15858 SCN9A

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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