European Journal of Medicinal Chemistry p. 625 - 633 (1998)
Update date:2022-08-24
Topics:
Ablordeppey, Seth Y.
El-Ashmawy, Mahmoud
Fischer, James B.
Glennon, Richard A.
A comparative molecular feld analysis (CoMFA) investigation was conducted on the binding of 64 compounds to σ1 receptors. Although CoMFA accurately predicted the binding affinities of the 64 compounds in the final set (R2 = 0.989), it was unable to predict the high affinity of the previously reported bridged σ ligand SC-50691. SC-50691, and its endo and exo isomers were synthesized and found to bind with much lower affinity than was previously reported.
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Doi:10.1016/S0022-328X(98)00683-4
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