Design, synthesis, and structure-activity relationship of a new class of amidinophenylurea-based factor VIIa inhibitors

Bioorganic and Medicinal Chemistry Letters

Volumn 13, Issue 8, 2003, Pages 1463-1467

  Klingler, Otmar ^a   Matter, Hans ^a   Schudok, Manfred ^a   Bajaj, S Paul ^b   Czech, Joerg ^a   Lorenz, Martin ^a   Nestler, Hans Peter ^a   Schreuder, Herman ^a   Wildgoose, Peter ^a  

^a SANOFI AVENTIS DEUTSCHLAND GMBH   (Germany)

^b S Louis Univ Hlth Sciences Center   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BLOOD CLOTTING FACTOR 7A; BLOOD CLOTTING INHIBITOR; CARBANILAMIDE DERIVATIVE;

ARTICLE; BINDING AFFINITY; CHEMICAL MODIFICATION; DRUG ACTIVITY; DRUG BINDING; DRUG DESIGN; DRUG IDENTIFICATION; DRUG SELECTIVITY; DRUG STRUCTURE; DRUG SYNTHESIS; HUMAN; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; X RAY CRYSTALLOGRAPHY;

EID: 0037451846     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0960-894X(03)00168-9     Document Type: Article

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29. 1 with a=70.08 Å, b=81.74 Å and c=126.17 Å. Initial phases were calculated using the structure by Banner (20) as starting model. The inhibitor was fitted using Quanta and refined using CNX (Accelrys). The final R-factor was 20.0% (R-free=25.0%). The benzamidine and urea parts of the inhibitor are well defined in the electron density maps, while the two phenyl groups and the peptide linker have poor electron density indicating some disorder.
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