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
DORZOLAMIDE

DORZOLAMIDE


ATC S01EC03

SENSORY
ANTIGLAUCOMA
ANTIHYPERTENSIVE AGENTS
CARBONIC ANHYDRASE INHIBITORS

OPHTHALMIC

PPB 33 PERCENT

HT 2880 HOUR

SOLUBILITY SOLUBLE IN WATER

CARBONIC ANHYDRASE II

PDB 3FW3 (CRYSTAL STRUCTURE OF SOLUBLE DOMAIN OF CA4 IN COMPLEX WITH DORZOLAMIDE)

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

Download experimental 3D coordinates of ETS with added hydrogens

CARBONIC ANHYDRASE II INHIBITOR CHEMBL205 CARBONIC ANHYDRASE II P00918 CARBONIC ANHYDRASE 2 HOMO SAPIENS ENZYME LYASEANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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