Cheminformatic Tools and Databases for Pharmacology

session 16223 - Total of 1 hits - Display   hits per page:

Add another drug(s) by one keyword:
Exemple: “nib“ and click on the Search button (do not press Enter on the keyboard)

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
CLOTRIMAZOLE

CLOTRIMAZOLE


ATC A01AB18
ATC D01AC01
ATC G01AF02

DERMATOLOGICALS
ANTIFUNGAL
ANTI-INFECTIVE
IMIDAZOLE
INHIBIT 14-ALPHA-DEMETHYLATION OF LANOSTEROL IN FUNGI

TOPICAL VAGINAL ORAL

Cmax 14 NANOMOLAR

Tmax 0.5 HOUR

SOLUBILITY INSOLUBLE IN WATER

CYTOCHROME P450 51

PDB 2XFH (STRUCTURE OF CYTOCHROME P450 ERYK COCRYSTALLIZED WITH INHIBITOR CLOTRIMAZOLE.)

LIGAND CODE = CL6 (link to the list of PDB complexes)

Download experimental 3D coordinates of CL6 with added hydrogens

Lanosterol 14-alpha demethylase UNIPROT P10613 ERG11

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



Copyright © 2019 Université Côte d'Azur CNRS - All rights reserved
  | Contact |