Comparative molecular modeling analysis of 5-amidinoindole and benzamidine binding to thrombin and trypsin: Specific H-bond formation contributes to high 5-amidinoindole potency and selectivity for thrombin and factor Xa

Journal of Molecular Recognition

Volumn 12, Issue 4, 1999, Pages 235-241

  Zhou, Yasheen ^a   Johnson, Michael E ^a  

^a UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

Author keywords

5 Amidinoindole; Benzamidine; Factor Xa inhibitor; Specificity pocket of serine proteases; Thrombin inhibitor

Indexed keywords

5 AMIDINOINDOLE; BENZAMIDINE; BLOOD CLOTTING; CRYSTAL STRUCTURE; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR MODEL; THROMBIN; TRYPSIN;

AMINO ACID SUBSTITUTION; ANIMALS; BENZAMIDINES; BINDING SITES; CATTLE; COMPUTER SIMULATION; FACTOR XA; HUMANS; HYDROGEN BONDING; INDOLES; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEIN BINDING; SERINE; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY; THROMBIN; TRYPSIN;

EID: 0033167327     PISSN: 09523499     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1099-1352(199907/08)12:4<235::AID-JMR460>3.0.CO;2-X     Document Type: Article

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