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PDBsum entry 2j2u

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Hydrolase PDB id
2j2u
Contents
Protein chains
229 a.a.
52 a.a.
Ligands
GSQ
Waters ×193

References listed in PDB file
Key reference
Title Arylsulfonamides: a study of the relationship between activity and conformational preferences for a series of factor xa inhibitors.
Authors S.Senger, M.A.Convery, C.Chan, N.S.Watson.
Ref. Bioorg Med Chem Lett, 2006, 16, 5731-5735. [DOI no: 10.1016/j.bmcl.2006.08.092]
PubMed id 16982192
Abstract
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.
PROCHECK
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 Headers

 

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