Cheminformatic Tools and Databases for Pharmacology

session 69834 - Total of 2 hits - Display   hits per page:

Add another drug(s) by one keyword:
Exemple: “nib“ and click on the Search button (do not press Enter on the keyboard)

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
CALCITRIOL (is an active metabolite)

CALCITRIOL


ATC A11CC04
ATC D05AX03

METABOLISM
ANTIHYPOCALCEMIC AGENTS
BONE DENSITY CONSERVATION AGENTS
VITAMINS (VITAMIN D)

ORAL INJECTION TOPICAL

Cmax 0.14 NANOMOLAR

Tmax 4.5 HOUR

PPB 99.9 PERCENT

HT 6.5 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

VITAMIN D3 RECEPTOR

PDB 1DB1 (CRYSTAL STRUCTURE OF THE NUCLEAR RECEPTOR FOR VITAMIN D COMPLEXED TO VITAMIN D)

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

Download experimental 3D coordinates of VDX with added hydrogens

VITAMIN D RECEPTOR AGONIST CHEMBL1977 VITAMIN D RECEPTOR P11473 VITAMIN D3 RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR1 NR1I NR1I1EMA

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
ISOFLURANE

ISOFLURANE


ATC N01AB06

NERVOUS SYSTEM
ANESTHETIC

INHALATION CYS-LOOP FAMILY OF PENTAMERIC LIGAND-GATED ION CHANNELS (PLGIC)

PDB 4Z90 (ELIC BOUND WITH THE ANESTHETIC ISOFLURANE IN THE RESTING STATE)

LIGAND CODE = 4LE (link to the list of PDB complexes)

Download experimental 3D coordinates of 4LE with added hydrogens

GABA-A RECEPTOR ANION CHANNEL POSITIVE ALLOSTERIC MODULATOR CHEMBL2093872 GABA-A RECEPTOR ANION CHANNEL O00591 GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT PI HOMO SAPIENS ION CHANNEL LGIC GABAAEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



Copyright © 2019 Université Côte d'Azur CNRS - All rights reserved
  | Contact |