TY - JOUR T1 - Distance geometry analysis of the benzodiazepine binding site. JF - Molecular Pharmacology JO - Mol Pharmacol SP - 11 LP - 19 VL - 22 IS - 1 AU - G M Crippen Y1 - 1982/07/01 UR - http://molpharm.aspetjournals.org/content/22/1/11.abstract N2 - 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. ER -