Cheminformatic Tools and Databases for Pharmacology

session 66312 - 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
TRANDOLAPRIL (has an active metabolite)

TRANDOLAPRIL


ATC C09AA10
ATC C09BB10

CARDIOVASCULAR
ANTIHYPERTENSIVE
ANGIOTENSIN-CONVERTING ENZYME (ACE) INHIBITORS

ORAL

Tmax 1 HOUR

F 10 PERCENT

VD 18 LITER

PPB 80 PERCENT

Cl 52 LITER / HOUR

HT 6 HOUR

ANGIOTENSIN-CONVERTING ENZYME

ANGIOTENSIN-CONVERTING ENZYME INHIBITOR CHEMBL1808 ANGIOTENSIN-CONVERTING ENZYME P12821 ANGIOTENSIN-CONVERTING ENZYME HOMO SAPIENS ENZYME PROTEASE METALLO MAE M2ANSM (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
TRANDOLAPRILAT (is an active metabolite)

TRANDOLAPRILAT


ATC C09AA10
ATC C09BB10

CARDIOVASCULAR
ANTIHYPERTENSIVE
ANGIOTENSIN-CONVERTING ENZYME (ACE) INHIBITORS

-

Tmax 7 HOUR

F 70 PERCENT

VD 227 LITER (EQN)

PPB 65 PERCENT

Cl 7 LITER / HOUR

HT 22.5 HOUR

ANGIOTENSIN-CONVERTING ENZYME

PDB 2X93 (CRYSTAL STRUCTURE OF ANCE-TRANDOLAPRILAT COMPLEX)

LIGAND CODE = X93 (link to the list of PDB complexes)

Download experimental 3D coordinates of X93 with added hydrogens

ANGIOTENSIN-CONVERTING ENZYME INHIBITOR CHEMBL1808 ANGIOTENSIN-CONVERTING ENZYME P12821 ANGIOTENSIN-CONVERTING ENZYME HOMO SAPIENS ENZYME PROTEASE METALLO MAE M2ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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