D-Phe-Pro-p-amidinobenzylamine: A potent and highly selective thrombin inhibitor

Bioorganic and Medicinal Chemistry Letters

Volumn 6, Issue 20, 1996, Pages 2387-2392

  Wiley, Michael R ^a   Chirgadze, Nickolay Y ^a   Clawson, David K ^a   Craft, Trelia J ^a   Gifford Moore, Donetta S ^a   Jones, Noel D ^a   Olkowski, Jennifer L ^a   Weir, Leonard C ^a   Smith, Gerald F ^a  

^a ELI LILLY AND COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

THROMBIN INHIBITOR;

ARTICLE; CONTROLLED STUDY; DRUG DESIGN; DRUG SYNTHESIS; ENZYME BINDING; ENZYME INHIBITION; HUMAN; MOLECULAR DYNAMICS; STRUCTURE ACTIVITY RELATION;

EID: 0030598188     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/0960-894X(96)00442-8     Document Type: Article

References (21)

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13. 18 An experimental data set of 21,488 unique reflections, representing 70% of all theoretically possible reflections in the resolution range of 6.0-1.9 Å with Rmerge=8.7% was used. The position of the inhibitor in the active site cleft was determined by different Fourier electron density distribution. The final model includes 2,902 non-hydrogen atoms, of which 323 are water oxygen atoms, and has a crystallographic R-factor of 20.5% with bond length standard deviation from ideal by 0.019 Å.
14. 12. The numbering of thrombin residues is obtained on the basis of topological equivalences with chymotrypsinogen. Hartley, B. S.; Shotton, D. M. In The Enzymes; In Boyer, P. D.; Academic: New York, 1971; Vol III, pp 323-373.
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