Cheminformatic Tools and Databases for Pharmacology

session 13098 - 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
SULFAMETHOXAZOLE

SULFAMETHOXAZOLE


ATC J01EC01
ATC J01EE01

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
SULFONAMIDES
INHIBITS BACTERIAL SYNTHESIS OF DIHYDROFOLIC ACID BY COMPETING WITH PARA-AMINOBENZOIC ACID (PABA)
DIHYDROPTEROATE SYNTHASE INHIBITOR
ANTIMALARIALS

ORAL INJECTION

Cmax 268.7 MICROMOLAR

Tmax 2.5 HOUR

VD 19.5 LITER (65 KILOGRAM)

PPB 70 PERCENT

Cl 1.4 LITER / HOUR (65 KILOGRAM)

HT 10 HOUR

DIHYDROPTEROATE SYNTHASE (DHPS)

PDB 3TZF (CRYSTAL STRUCTURE OF THE YERSINIA PESTIS DIHYDROPTEROATE SYNTHASE WITH SULFONAMIDE DRUG COMPLEX.)

LIGAND CODE = 08D (link to the list of PDB complexes)

Download experimental 3D coordinates of 08D with added hydrogens

BACTERIAL DIHYDROPTEROATE SYNTHASE INHIBITOR CHEMBL2364668 BACTERIAL DIHYDROPTEROATE SYNTHASE P0AC13 DIHYDROPTEROATE SYNTHASE BACTERIA ENZYME TRANSFERASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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