Cheminformatic Tools and Databases for Pharmacology

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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
LISINOPRIL

LISINOPRIL


ATC C09AA03
ATC C09BB03
ATC C09BA03
ATC C10BX07

CARDIOVASCULAR
ANGIOTENSIN-CONVERTING ENZYME INHIBITOR (ACE)
ANTIHYPERTENSIVE
CARDIOTONIC AGENTS

ORAL

Tmax 7 HOUR

F 25 PERCENT

VD 57.8 LITER

PPB 0 PERCENT

Cl 4.6 LITER / HOUR

HT 42 HOUR

SOLUBILITY SOLUBLE IN WATER

ANGIOTENSIN-CONVERTING ENZYME

PDB 1O86 (CRYSTAL STRUCTURE OF HUMAN ANGIOTENSIN CONVERTING ENZYME IN COMPLEX WITH LISINOPRIL.)

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

Download experimental 3D coordinates of LPR with added hydrogens

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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