2j34
CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
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OverviewOverview
Torsional scans of sulfonamide S-C bonds in small model systems of a, series of arylsulfonamide factor Xa inhibitors were performed in order to, investigate if conformational effects can help to rationalise the observed, SAR. Computational results were in good agreement with the experimental, data indicating that the sulfonamide conformation plays an important role, in determining the activity in this particular series of factor Xa, inhibitors.
About this StructureAbout this Structure
2J34 is a [Single protein] structure of sequence from [Homo sapiens] with CA and GS6 as [ligands]. Active as [Coagulation factor Xa], with EC number [3.4.21.6]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].
ReferenceReference
Arylsulfonamides: a study of the relationship between activity and conformational preferences for a series of factor Xa inhibitors., Senger S, Convery MA, Chan C, Watson NS, Bioorg Med Chem Lett. 2006 Nov 15;16(22):5731-5. Epub 2006 Sep 18. PMID:16982192
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