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Crystal structure of Mps1 complex with a small molecule inhibitor (PDB ID, Ref. 6) solved with resolution 2.60 Å was used as a target for docking. Docking model of Mps1 complex with compound 1 was further refined using Schrodinger induced fit docking protocol
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Crystal structure of Mps1 complex with a small molecule inhibitor (PDB ID 3H9F, Ref. 6) solved with resolution 2.60 Å was used as a target for docking. Docking model of Mps1 complex with compound 1 was further refined using Schrodinger induced fit docking protocol: W. Sherman, T. Day, M.P. Jacobson, R.A. Friesner, and R. Farid J. Med. Chem. 49 2006 534
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