Cheminformatic Tools and Databases for Pharmacology

session 80781 - Total of 2 hits - Display   hits per page:

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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
ALPHA-TOCOPHEROL (is an active metabolite)

ALPHA-TOCOPHEROL
VITAMIN E
TOCOPHEROL
NATURAL MOLECULE (link)


ATC A11HA03

METABOLISM
ANTIOXIDANTS
VITAMINS
PROTECTS AGAINST FREE RADICAL DAMAGE

INJECTION INTRAVENOUS ALPHA-TOCOPHEROL TRANSFER PROTEIN (ALPHA-TTP) (PMID24231105)

PDB 5MUG (SELF-ASSEMBLED ALPHA-TOCOPHEROL TRANSFER PROTEIN NANOPARTICLES PROMOTE VITAMIN E DELIVERY ACROSS AN ENDOTHELIAL BARRIER)

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

Download experimental 3D coordinates of VIV with added hydrogens

Unknown - more at DrugCentralANSM (in French)

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
ALPHA-TOCOPHEROL ACETATE (has an active metabolite)

ALPHA-TOCOPHEROL ACETATE
TOCOPHEROL ACETATE


ATC A11HA03

METABOLISM
SUPPLEMENT
ANTIOXIDANT
VITAMIN E

INTRAVENOUS ALPHA-TOCOPHEROL TRANSFER PROTEIN (ALPHA-TTP) (PMID24231105)

Unknown - more at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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