Cheminformatic Tools and Databases for Pharmacology

session 2918 - Total of 3 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
DESOXYCORTICOSTERONE (is an active metabolite)

DESOXYCORTICOSTERONE


ATC H02AA03

HORMONES
ADRENOCORTICAL STEROID
PRECURSOR OF ALDOSTERONE
SUBSTRATE OF ALDOSTERONE SYNTHASE (CYTOCHROME P450 CYP11B2)

- ALDOSTERONE SYNTHASE

PDB 2AA7 (MINERALOCORTICOID RECEPTOR WITH BOUND DEOXYCORTICOSTERONE)

LIGAND CODE = 1CA (link to the list of PDB complexes)

Download experimental 3D coordinates of 1CA with added hydrogens

MINERALOCORTICOID RECEPTOR AGONIST CHEMBL1994 MINERALOCORTICOID RECEPTOR P08235 MINERALOCORTICOID RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C2ANSM (in French)

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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
DESOXYCORTICOSTERONE ACETATE DISCONTINUED (has an active metabolite)

DESOXYCORTICOSTERONE ACETATE


ATC H02AA03

HORMONES
ADRENOCORTICAL STEROID
PRECURSOR OF ALDOSTERONE
SUBSTRATE OF ALDOSTERONE SYNTHASE (CYTOCHROME P450 CYP11B2)

INJECTION IMPLANTATION ALDOSTERONE SYNTHASE

PDB 4DVQ (HUMAN ALDOSTERONE SYNTHASE PMID23322723)

MINERALOCORTICOID RECEPTOR AGONIST CHEMBL1994 MINERALOCORTICOID RECEPTOR P08235 MINERALOCORTICOID RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C2ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

3 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
DESOXYCORTICOSTERONE PIVALATE DISCONTINUED (has an active metabolite)

DESOXYCORTICOSTERONE PIVALATE


ATC H02AA03

HORMONES
ANTI-ADDISON AGENTS
ADRENOCORTICAL STEROID
PRECURSOR OF ALDOSTERONE
SUBSTRATE OF ALDOSTERONE SYNTHASE (CYTOCHROME P450 CYP11B2)

INJECTION

SOLUBILITY INSOLUBLE IN WATER

ALDOSTERONE SYNTHASE

PDB 4DVQ (HUMAN ALDOSTERONE SYNTHASE PMID23322723)

MINERALOCORTICOID RECEPTOR AGONIST CHEMBL1994 MINERALOCORTICOID RECEPTOR P08235 MINERALOCORTICOID RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C2ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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