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
BETA CAROTENE DISCONTINUED

BETA CAROTENENATURAL MOLECULE (link)


ATC A11CA02
ATC D02BB01

METABOLISM
NUTRIMENT
SUPPLEMENT
PRO-VITAMINA

ORAL BETA,BETA-CAROTENE 15,15PRIME-MONOOXYGENASE

PDB 5MX2 (PHOTOSYSTEM II DEPLETED OF THE MN4CAO5 CLUSTER AT 2.55 A RESOLUTION)

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

Download experimental 3D coordinates of BCR with added hydrogens

Core protein Q2Q167 (Q2Q167_9HEPC)ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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