PT  - JOURNAL ARTICLE
AU  - G M Crippen
TI  - Distance geometry analysis of the benzodiazepine binding site.
DP  - 1982 Jul 01
TA  - Molecular Pharmacology
PG  - 11--19
VI  - 22
IP  - 1
4099  - http://molpharm.aspetjournals.org/content/22/1/11.short
4100  - http://molpharm.aspetjournals.org/content/22/1/11.full
SO  - Mol Pharmacol1982 Jul 01; 22
AB  - The in vitro binding constants to brain benzodiazepine receptor are known for a variety of benzodiazepines and also for four other different classes of strongly binding compounds. The binding data for a total of 29 drugs selected from these 5 classes was used to deduce a possible binding site model consisting of 15 site points and only 5 adjustable energy parameters. Even though some of the chemical structures differed radically, it was possible to fit the experimental data with a root mean square deviation of 1.1 kcal/mole. Apparently 5 non-hydrogen atoms in each ligand can occupy corresponding points in the site, and thus constitute a possible benzodiazepine pharmacophore.