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PDBsum entry 4riu
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Lyase/lyase inhibitor
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PDB id
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4riu
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References listed in PDB file
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Key reference
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Title
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Saccharin: a lead compound for structure-Based drug design of carbonic anhydrase IX inhibitors.
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Authors
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B.P.Mahon,
A.M.Hendon,
J.M.Driscoll,
G.M.Rankin,
S.A.Poulsen,
C.T.Supuran,
R.Mckenna.
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Ref.
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Bioorg Med Chem Lett, 2015,
23,
849-854.
[DOI no: ]
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PubMed id
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Abstract
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Carbonic anhydrase IX (CA IX) is a key modulator of aggressive tumor behavior
and a prognostic marker and target for several cancers. Saccharin (SAC) based
compounds may provide an avenue to overcome CA isoform specificity, as they
display both nanomolar affinity and preferential binding, for CA IX compared to
CA II (>50-fold for SAC and >1000-fold when SAC is conjugated to a
carbohydrate moiety). The X-ray crystal structures of SAC and a SAC-carbohydrate
conjugate bound to a CA IX-mimic are presented and compared to CA II. The
structures provide substantial new insight into the mechanism of SAC selective
CA isoform inhibition.
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