Cheminformatic Tools and Databases for Pharmacology

session 99410 - 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
ACETOHYDROXAMIC ACID

ACETOHYDROXAMIC ACID


ATC G04BX03

GENITO
UREASE INHIBITOR
TREATMENT OF INFETION-INDUCED URINARY STONES

ORAL

Tmax 0.625 HOUR

F 100 PERCENT

HT 7.5 HOUR (PMID649302)

SOLUBILITY HIGHLY SOLUBLE IN WATER

UREASE
MACROPHAGE METALLOELASTASE (MATRIX METALLOPROTEINASE-12 (MMP-12))

PDB 1Y93 (CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COMPLEXED WITH ACETOHYDROXAMIC ACID AT ATOMIC RESOLUTION)

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

Download experimental 3D coordinates of HAE with added hydrogens

Bacterial urease UNIPROT Q03282 ureA

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 |