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
ALOGLIPTIN

ALOGLIPTIN


ATC A10BH04
ATC A10BD13
ATC A10BD09

METABOLISM
TYPE 2 DIABETES MELLITUS
INHIBITOR

ORAL

F 100 PERCENT

VD 417 LITER

PPB 20 PERCENT

Cl 14 LITER / HOUR

HT 21 HOUR

SOLUBILITY SPARINGLY SOLUBLE IN WATER

DIPEPTIDYL PEPTIDASE-4 (DPP-4)

PDB 3G0B (CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH TAK-322)

LIGAND CODE = T22 (link to the list of PDB complexes)

Download experimental 3D coordinates of T22 with added hydrogens

DIPEPTIDYL PEPTIDASE IV INHIBITOR CHEMBL284 DIPEPTIDYL PEPTIDASE IV P27487 DIPEPTIDYL PEPTIDASE 4 HOMO SAPIENS ENZYME PROTEASE SERINE SC S9BEMA

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