Cheminformatic Tools and Databases for Pharmacology

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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
MIGALASTAT

MIGALASTAT


ATC A16AX14

METABOLISM
AN ALPHA-GALACTOSIDASE A (ALPHA-GAL A) PHARMACOLOGICAL CHAPERONE
TREATMENT OF FABRY DISEASE
ANALOGUE OF THE TERMINAL GALACTOSE OF GLOBOTRIAOSYLCERAMIDE (GL-3)

ORAL

Tmax 3 HOUR

F 75 PERCENT

VD 89 LITER

PPB 0 PERCENT

Cl 12.5 LITER / HOUR

HT 4 HOUR

SOLUBILITY FREELY SOLUBLE IN AQUEOUS MEDIA WITHIN THE PH RANGE OF 1.2 TO 7.5

ALPHA-GALACTOSIDASE A

PDB 4D1J (THE STRUCTURE OF THE GH35 BETA-GALACTOSIDASE BGL35A FROM CELLVIBRIO JAPONICAS IN COMPLEX WITH 1-DEOXYGALACTONOJIRIMYCIN)

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

Download experimental 3D coordinates of DGJ with added hydrogens

Alpha-galactosidase A AGAL_HUMAN P06280ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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