Cheminformatic Tools and Databases for Pharmacology

session 31710 - 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
ALENDRONATE

ALENDRONATE


ATC M05BA04
ATC M05BB06
ATC M05BB03
ATC M05BB05

METABOLISM
BONE RESORPTION INHIBITOR
BISPHOSPHONATE
ANTIHYPOCALCEMIC AGENTS
ANTIRESORPTIVES

ORAL

F 0.64 PERCENT

VD 28 LITER

PPB 78 PERCENT

Cl 12 LITER / HOUR

HT 87600 HOUR

SOLUBILITY SOLUBLE IN WATER

FARNESYL PYROPHOSPHATE SYNTHASE

PDB 5DZ2 (GEOSMIN SYNTHASE FROM STREPTOMYCES COELICOLOR N-TERMINAL DOMAIN COMPLEXED WITH THREE MG2+ IONS AND ALENDRONIC ACID)

LIGAND CODE = 212 (link to the list of PDB complexes)

Download experimental 3D coordinates of 212 with added hydrogens

Farnesyl pyrophosphate synthase UNIPROT P14324 FDPS

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 |