Cheminformatic Tools and Databases for Pharmacology

session 5532 - 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
RUXOLITINIB

RUXOLITINIB


ATC D11AH09
ATC L01EJ01

ANTINEOPLASTIC AGENT
MYELOFIBROSIS
PROTEIN KINASE INHIBITOR

ORAL TOPICAL

VD 59 LITER

PPB 97 PERCENT

Cl 19.9 LITER / HOUR

HT 3 HOUR

SOLUBILITY SOLUBLE IN AQUEOUS BUFFERS ACROSS A PH RANGE OF 1 TO 8

JANUS ASSOCIATED KINASES
JAK1
JAK2

PDB 4U5J (C-SRC IN COMPLEX WITH RUXOLITINIB)

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

Download experimental 3D coordinates of RXT with added hydrogens

Tyrosine-protein kinase JAK1 UNIPROT P23458 JAK1 -- Tyrosine-protein kinase JAK2 UNIPROT O60674 JAK2

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 |