Cheminformatic Tools and Databases for Pharmacology

session 59530 - 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
CAPTOPRIL

CAPTOPRIL


ATC C09AA01
ATC C09BA01

CARDIOVASCULAR
ANTIHYPERTENSIVE
ANGIOTENSIN-CONVERTING ENZYME INHIBITORS

ORAL

Tmax 1 HOUR

F 75 PERCENT

VD 48.7 LITER (65 KILOGRAM)

PPB 27 PERCENT

Cl 46.8 LITER / HOUR (65 KILOGRAM)

HT 2 HOUR

SOLUBILITY SOLUBLE IN WATER (160 MILLIGRAM / MILLILITER)

ANGIOTENSIN-CONVERTING ENZYME (ACE)

PDB 1UZF (COMPLEX OF THE ANTI-HYPERTENSIVE DRUG CAPTOPRIL AN THE HUMAN TESTICULAR ANGIOTENSIN I-CONVERTING ENZYME)

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

Download experimental 3D coordinates of MCO with added hydrogens

ANGIOTENSIN-CONVERTING ENZYME INHIBITOR CHEMBL1808 ANGIOTENSIN-CONVERTING ENZYME P12821 ANGIOTENSIN-CONVERTING ENZYME HOMO SAPIENS ENZYME PROTEASE METALLO MAE M2EMA

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 |