Cheminformatic Tools and Databases for Pharmacology

session 59157 - Total of 2 hits - Display   hits per page:

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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
ACETOHEXAMIDE DISCONTINUED (has an active metabolite)

ACETOHEXAMIDE


ATC A10BB31

METABOLISM
ANTIDIABETIC
HYPOGLYCEMIC AGENTS
SULFONYLUREAS

ORAL ATP-SENSITIVE POTASSIUM CHANNEL OF THE PANCREATIC B-CELL

PDB 8J2O (CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN-COMPLEX WITH ACETOHEXAMIDE AT 2.6 A RESOLUTION)

LIGAND CODE = TF9 (link to the list of PDB complexes)

Download experimental 3D coordinates of TF9 with added hydrogens

Sulfonylurea receptor 1, Kir6.2 UNIPROT Q09428 ABCC8

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 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
M ACETOHEXAMIDE (is an active metabolite)

ACETOHEXAMIDE


ATC A10BB31

METABOLISM
ANTIDIABETIC
HYPOGLYCEMIC AGENTS
SULFONYLUREAS

- ATP-SENSITIVE POTASSIUM CHANNEL OF THE PANCREATIC B-CELL

Sulfonylurea receptor 1, Kir6.2 UNIPROT Q09428 ABCC8

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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