Pub. Date : 2012 Apr
PMID : 22113809
1 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | From the theozyme analysis of the X-ray structures for ketoconazole- and metyrapone-CYP3A4 complexes, the interaction free energy of the neighboring residues with each inhibitor in the active site is calculated to be about -3 kcal mol(-1) in water, whose the interaction energy and the desolvation free energy change are about -5 and 2 kcal mol(-1) , respectively. | Metyrapone | cytochrome P450 family 3 subfamily A member 4 | Homo sapiens |