Novartis Vaccines & Diagnostics, Gmbh

Dirksen Bussiere

Paul A Renhowe

Savithri Ramurthy

Mark Knapp

Keith Bruce Pfister

Cynthia Shafer

Christopher McBride

Sabina Pecchi

Allan S Wagman

Paul Andrew Barsanti

Stephen David Harrison

Simon C Ng

Zhi-Jie Ni

Timothy D Machajewski

Eric J Martin

Marion Wiesmann

Elisa Jazan

William R McCrea

Carla C Heise

Kelly Wayman

Vincent P Le

Johanna M Jansen

Joel B Silver

This invention provides methods of identifying an Eg5 binding ligand. The ligand is identified by using the atomic coordinates of an Eg5 crystal to generate a three dimensional structure. The three dimensional structure is used in molecular modeling techniques and docking experiments to identify ligands that bind to the binding pocket of Eg5. A novel binding pocket is identified. The invention also provides a crystallized Eg5 and ligand complex.

Eg5 co-crystals

Methods of inhibiting various enzymes and treating various conditions are provided that include administering to a subject a compound of Structure I or IB, a pharmaceutically acceptable salt thereof, a tautomer thereof, or a pharmaceutically acceptable salt of the tautomer. Compounds having the Structure I and IB have the following structures and have the variables described herein. Such compounds may be used to prepare medicaments for use in inhibiting various enzymes and for use in treating conditions mediated by such enzymes. 

Benzimidazole quinolinones and uses thereof

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Walnut Creek, CA, United States of America

Dirksen Bussiere