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
GENTIAN VIOLET DISCONTINUED

GENTIAN VIOLET


ATC D01AE02
ATC G01AX09

DERMATOLOGICAL
ANTIINFECTIVE
ANTHELMINTIC
ANTIBACTERIAL
ANTIFUNGAL
HEXAMETHYL PARAROSANILINE

VAGINAL

SOLUBILITY SOLUBLE IN WATER BECAUSE IT IS A SALT

NADPH OXIDASE IN MAMMALIAN CELLS AND THIOREDOXIN REDUCTASE 2 IN BACTERIAL, FUNGAL AND PARASITIC CELLS

PDB 5OV9 (CRYSTAL STRUCTURE OF ACETYLCHOLINESTERASE IN COMPLEX WITH CRYSTAL VIOLET)

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

Download experimental 3D coordinates of CVI with added hydrogens

DNA INHIBITOR CHEMBL2364041 DNA BACTERIAANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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