Novel thombin inhibitors that are based on a macrocyclic tripeptide motif

Bioorganic and Medicinal Chemistry Letters

Volumn 6, Issue 24, 1996, Pages 2947-2952

  Greco, Michael N ^a   Powell, Eugene T ^a   Hecker, Leonard R ^a   Andrade Gordon, Patricia ^a   Kauffman, Jack A ^a   Lewis, Joan M ^a   Ganesh, Venkatapathy ^b   Tulinsky, Alexander ^b   Maryanoff, Bruce E ^a  

^a JOHNSON AND JOHNSON PHARMACEUTICAL RESEARCH AND DEVELOPMENT   (United States)

^b MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOPEPTIDE; CYCLOTHEONAMIDE A; EFEGATRAN; HIRUGEN; MACROCYCLIC COMPOUND; THROMBIN; THROMBIN INHIBITOR; TRYPSIN; UNCLASSIFIED DRUG;

ARTICLE; CONTROLLED STUDY; DRUG DESIGN; DRUG SYNTHESIS; ENZYME BINDING; ENZYME INHIBITION; HUMAN; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

EID: 0030591845     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0960-894X(96)00554-9     Document Type: Article

References (22)

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21. 9a A total of 47,859 reflections were measured and averaged to give 25,408 independent reflections (74.2% of theoretical) with R merge = 4.5% (I/σ(I) >2.0). The structure was solved using the coordinates of the hirugen-thrombin structure and it was refined by restrained least squares methods with the program PROLSQ. The refinement converged at R = 16.6% including 135 water molecules in the calculations.
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