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(b) Phillips, G. B.; Buckman, B. O.; Davey, D. D.; Eagen, K. A.; Guilford, W. J.; Hinchman, J.; Ho, E.; Koovakkar, A. L.; Light, D. R.; Mohan, R.; Ng, H. P.; Post, J. M.; Shaw, K. J.; Smith, D.; Subramanyam, B.; Sullivan, M. E.; Trinh, L.; Verona, R.; Walters, J.; White, K.; Whitlow, M.; Wu, S.; Xu, W.; Morrissey, M. M. Discovery of N-[2-[5-[Amino(imino)methyl]-2-hydro-1-methyl-(1H-imidazol-2-yl)phenoxy]pyridin- 4-yl]-N-methylglycine (ZK-807834): A Potent, Selective, and Orally Active Inhibitor of the Blood Coagulation Enyme Factor Xa. J. Med. Chem. 1998, 41, 3557-3562.
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4 pocket using Sybyl 6.22 (Tripos Inc., St. Louis, MO). The structure was further refined by energy minimization keeping the protein rigid and the inhibitor completely flexible. The force field is described by Clark, M.; Cramer, R. D., III; Van Opdenbosch, N. Validation of the General Purpose Tripos 5.2 Force Field. J. Comput. Chem. 1989, 10, 982-1012.
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