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
BEPRIDIL DISCONTINUED

BEPRIDIL


ATC C08EA02

CARDIOVASCULAR
ANTIARRHYTHMIC
VASODILATOR
ANTIANGINAL
CALCIUM CHANNEL BLOCKERS

ORAL

Cmax 6.8 MICROMOLAR

PPB 99 PERCENT

HT 42 HOUR

SOLUBILITY SLIGHTLY SOLUBLE IN WATER

CALCIUM CHANNEL

PDB 1LXF (STRUCTURE OF THE REGULATORY N-DOMAIN OF HUMAN CARDIAC TROPONIN C IN COMPLEX WITH HUMAN CARDIAC TROPONIN-I(147-163) AND BEPRIDIL)

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

Download experimental 3D coordinates of BEP with added hydrogens

VOLTAGE-GATED CALCIUM CHANNEL BLOCKER CHEMBL2363032 VOLTAGE-GATED CALCIUM CHANNEL O00305 VOLTAGE-DEPENDENT L-TYPE CALCIUM CHANNEL SUBUNIT BETA-4 HOMO SAPIENS AUXILIARY TRANSPORT PROTEIN CA BETAANSM (in French)

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