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
DICHLORPHENAMIDE

DICHLORPHENAMIDE


ATC S01EC02

SENSORY
ANTIGLAUCOMIC AGENTS
CARBONIC ANHYDRASE INHIBITORS
OPHTHALMICS

ORAL CARBONIC ANHYDRASE

PDB 2POU (THE CRYSTAL STRUCTURE OF THE HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4,5-DICHLORO-BENZENE-1,3-DISULFONAMIDE)

LIGAND CODE = I7A (link to the list of PDB complexes)

Download experimental 3D coordinates of I7A with added hydrogens

CARBONIC ANHYDRASE XII INHIBITOR CHEMBL3242 CARBONIC ANHYDRASE XII O43570 CARBONIC ANHYDRASE 12 HOMO SAPIENS ENZYME LYASEEMA

ANSM (in French)

Inxight Drugs
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Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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