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
LIDOCAINE

LIDOCAINE


ATC C01BB01
ATC C05AD01
ATC D04AB01
ATC N01BB02
ATC R02AD02
ATC S01HA07
ATC S02DA01
ATC N01BB52

CARDIOVASCULAR
ANESTHETIC (LOCAL)
ANTIARRHYTHMIC

INJECTION TOPICAL ORAL SPINAL RECTAL IONTOPHORESIS BUCCAL PERIODONTAL INTRADERMAL INTRAMUSCULAR INTRAVENOUS OPHTHALMIC

Cmax 777 NANOMOLAR

Tmax 0.5 HOUR

VD 117 LITER (65 KILOGRAM)

PPB 70 PERCENT

Cl 57 LITER / HOUR

HT 1.75 HOUR

SODIUM CHANNEL

PDB 3JQZ (CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN COMPLEXED WITH LIDOCAINE)

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

Download experimental 3D coordinates of LQZ with added hydrogens

SODIUM CHANNEL ALPHA SUBUNIT BLOCKER CHEMBL2331043 SODIUM CHANNEL ALPHA SUBUNIT P35498 SODIUM CHANNEL PROTEIN TYPE 1 SUBUNIT ALPHA HOMO SAPIENS ION CHANNEL VGC VG NAEMA

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