Cheminformatic Tools and Databases for Pharmacology

session 529 - 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
ERYTHROMYCIN ETHYLSUCCINATE (has an active metabolite)

ERYTHROMYCIN ETHYLSUCCINATE


ATC D10AF02
ATC J01FA01
ATC S01AA17
ATC D10AF52

DERMATOLOGICALS
ANTIBIOTIC
ANTIBACTERIAL
MACROLIDE

ORAL

SOLUBILITY POORLY SOLUBLE IN WATER

50S RIBOSOMAL PROTEIN

BACTERIAL 70S RIBOSOME INHIBITOR CHEMBL2363135 BACTERIAL 70S RIBOSOME 23S RIBOSOMAL RNA BACTERIAEMA

ANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
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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
TRETINOIN

TRETINOIN


ATC D10AD01
ATC L01XX14
ATC D10AD51

DERMATOLOGICALS
KERATOLYTIC
ANTINEOPLASTIC AGENTS
RETINOIC ACID RECEPTOR (RAR) AGONIST
TREATMENT OF ACNE
ENDOGENOUS RETINOID METABOLITE OF VITAMIN A
INDUCES DIFFERENTIATION AND INHIBITS PROLIFERATION
INDUCES ITS OWN METABOLISM

TOPICAL ORAL

Cmax 1.31 MICROMOLAR

Tmax 1.5 HOUR

PPB 95 PERCENT

HT 1.25 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

RETINOIC ACID RECEPTOR (RAR)
CRABP I
CRABP II

PDB 3CWK (CRYSTAL STRUCTURE OF THE R132K:Y134F:R111L:T54V:L121E MUTANT OF CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II IN COMPLEX WITH ALL-TRANS-RETINOIC ACID AT 1.57 ANGSTROMS RESOLUTION)

LIGAND CODE = REA_3CWK (link to the list of PDB complexes)

Download experimental 3D coordinates of REA_3CWK with added hydrogens

RETINOIC ACID RECEPTOR AGONIST CHEMBL2363069 RETINOIC ACID RECEPTOR P10276 RETINOIC ACID RECEPTOR ALPHA HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR1 NR1B NR1B1EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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