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
AMILORIDE

AMILORIDE


ATC C03DB01

CARDIOVASCULAR
POTASSIUM CONSERVING AGENT
SODIUM CHANNEL BLOCKERS
CYSTIC FIBROSIS

ORAL

Tmax 3.5 HOUR

HT 7.5 HOUR

AMILORIDE-SENSITIVE SODIUM CHANNEL
UROKINASE-TYPE PLASMINOGEN ACTIVATOR

PDB 4NTX (STRUCTURE OF ACID-SENSING ION CHANNEL IN COMPLEX WITH SNAKE TOXIN AND AMILORIDE)

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

Download experimental 3D coordinates of AMR with added hydrogens

AMILORIDE-SENSITIVE SODIUM CHANNEL, ENAC BLOCKER CHEMBL2107836 AMILORIDE-SENSITIVE SODIUM CHANNEL, ENAC P37088 AMILORIDE-SENSITIVE SODIUM CHANNEL SUBUNIT ALPHA HOMO SAPIENS ION CHANNEL LGIC ENACANSM (in French)

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