Cheminformatic Tools and Databases for Pharmacology

session 8178 - 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
M ULIPRISTAL ACETATE (is an active metabolite)

ULIPRISTAL ACETATE


ATC G03AD02
ATC G03XB02

GENITO
PROGESTERONE PARTIAL AGONIST AND ANTAGONIST EMERGENCY CONTRACEPTIVE

-

Cmax 159.3 NANOMOLAR

HT 27 HOUR

PROGESTERONE RECEPTOR

PROGESTERONE RECEPTOR MODULATOR CHEMBL208 PROGESTERONE RECEPTOR P06401 PROGESTERONE RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C3ANSM (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
ULIPRISTAL ACETATE (has an active metabolite)

ULIPRISTAL ACETATE


ATC G03AD02
ATC G03XB02

GENITO
PROGESTERONE PARTIAL AGONIST AND ANTAGONIST EMERGENCY CONTRACEPTIVE

ORAL

Cmax 370.5 NANOMOLAR

Tmax 0.9 HOUR

PPB 94 PERCENT

Cl 76.8 LITER / HOUR

HT 32 HOUR

PROGESTERONE RECEPTOR

PDB 4OAR (PROGESTERONE RECEPTOR WITH BOUND ULIPRISTAL ACETATE AND A PEPTIDE FROM THE CO-REPRESSOR SMRT)

LIGAND CODE = 2S0 (link to the list of PDB complexes)

Download experimental 3D coordinates of 2S0 with added hydrogens

PROGESTERONE RECEPTOR MODULATOR CHEMBL208 PROGESTERONE RECEPTOR P06401 PROGESTERONE RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C3ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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