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
LATANOPROSTENE BUNOD (has an active metabolite)

LATANOPROSTENE BUNOD


ATC S01EE06

SENSORY
ANTIGLAUCOMA
ANTIHYPERTENSIVE AGENTS
PROSTAGLANDIN ANALOG
LOWER INTRAOCULAR PRESSURE BY INCREASING OUTFLOW OF AQUEOUS HUMOR

OPHTHALMIC

Prostaglandin F2-alpha receptor UNIPROT P43088 PTGFR

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 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
M LATANOPROST (is an active metabolite)

LATANOPROST


ATC S01EE01
ATC S01EE51

SENSORY
ANTIGLAUCOMA
ANTIHYPERTENSIVE AGENTS
PROSTANOID

-

VD 10.4 LITER (65 KILOGRAM)

Cl 27.3 LITER / HOUR (65 KILOGRAM)

HT 0.28 HOUR

PROSTAGLANDIN F2-ALPHA RECEPTOR

PDB 8XJM (LATANOPROST ACID BOUND PROSTAGLANDIN F2-ALPHA RECEPTOR-GQ PROTEIN COMPLEX)

LIGAND CODE = 7WT (link to the list of PDB complexes)

Download experimental 3D coordinates of 7WT with added hydrogens

Prostaglandin F2-alpha receptor UNIPROT P43088 PTGFR

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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