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
GLUCONOLACTONE

GLUCONOLACTONE

FOOD ADDITIVE E575 USED AS A SEQUESTRANT
IN VITRO GLYCATING AGENT

IRRIGATION

PDB 2E40 (CRYSTAL STRUCTURE OF INTRACELLULAR FAMILY 1 BETA-GLUCOSIDASE BGL1A FROM THE BASIDIOMYCETE PHANEROCHAETE CHRYSOSPORIUM IN COMPLEX WITH GLUCONOLACTONE)

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

Download experimental 3D coordinates of LGC with added hydrogens

Glucosylceramidase P04062ANSM (in French)

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Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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