Molecules comprising an IMPDH-like binding pocket and encoded da

Details Molecules comprising an IMPDH-like binding pocket and encoded da Molecules comprising an IMPDH-like binding pocket and encoded da

1996-04-30

2000-10-03

Kemper, M.

Data processing: measuring, calibrating, or testing

Measurement system in a specific environment

Chemical analysis

364578, G06F 1900

Patent

active

06128582&

ABSTRACT:
The present invention relates to a data storage medium encoded with the corresponding structure coordinates of molecules and molecular complexes which comprise the active site binding pockets of IMPDH. Such data storage material is capable of displaying such molecules and molecular complexes, or their structural homologues, as a graphical three-dimensional representation on a computer screen. This invention also relates to methods of using the structure coordinates to solve the structure of homologous proteins or protein complexes. In addition, this invention relates to methods of using the structure coordinates to screen and design compounds, including inhibitory compounds, that bind to IMPDH or homologues thereof. This invention also relates to molecules and molecular complexes which comprise the active site binding pockets of IMPDH or close structural homologues of the active site binding pockets. This invention also relates to compounds and pharmaceutical compositions which are inhibitors of IMPDH.

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