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
PRAMOXINE

PRAMOXINE


ATC D04AB07
ATC C05AD07

DERMATOLOGICALS
ANESTHETIC

TOPICAL

PDB 4Y0Q (BOVINE BETA-LACTOGLOBULIN COMPLEX WITH PRAMOCAINE CRYSTALLIZED FROM SODIUM CITRATE (BLG-PRM1))

LIGAND CODE = PX9 (link to the list of PDB complexes)

Download experimental 3D coordinates of PX9 with added hydrogens

More at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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