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
TRIENTINE

TRIENTINE


ATC A16AX12

ANTI-WILSON'S DISEASE (HEPATOLENTICULAR DEGENERATION) AUTOSOMAL INHERITED METABOLIC DEFECT RESULTING IN AN INABILITY TO MAINTAIN A NEARZERO BALANCE OF COPPER
CHELATING AGENT

ORAL

SOLUBILITY FREELY SOLUBLE IN WATER

PDB 1DJ6 (COMPLEX OF A Z-DNA HEXAMER, D(CG)3, WITH SYNTHETIC POLYAMINE AT ROOM TEMPERATURE)

LIGAND CODE = 104 (link to the list of PDB complexes)

Download experimental 3D coordinates of 104 with added hydrogens

COPPER CHELATING AGENT CHEMBL2363057 COPPERANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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