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
DIMERCAPROL

DIMERCAPROL


ATC V03AB09

VARIOUS
CHELATING AGENT (AS, AU, HG ANTIDOTE) IN ACUTE POISONING

INJECTION

PDB 5ZJ8 (CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL DERIVATIVE CY32)

LIGAND CODE = 9DC (link to the list of PDB complexes)

Download experimental 3D coordinates of 9DC with added hydrogens

HEAVY METALS CHELATING AGENT CHEMBL2363053 HEAVY METALSANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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