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
COLFOSCERIL PALMITATE DISCONTINUED

COLFOSCERIL PALMITATE


ATC R07AA01

RESPIRATORY
LUNG SURFACTANTS

INTRATRACHEAL

PDB 2YGO (WIF DOMAIN-EGF-LIKE DOMAIN 1 OF HUMAN WNT INHIBITORY FACTOR 1 IN COMPLEX WITH 1,2-DIPALMITOYLPHOSPHATIDYLCHOLINE)

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

Download experimental 3D coordinates of PCF with added hydrogens

Unknown - more at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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