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PDBsum entry 7k6t
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Lyase/lyase inhibitor
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PDB id
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7k6t
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References listed in PDB file
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Key reference
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Title
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Handling drug-Target selectivity: a study on ureido containing carbonic anhydrase inhibitors.
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Authors
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O.Akgul,
S.Singh,
J.T.Andring,
R.Mckenna,
S.Selleri,
F.Carta,
A.Angeli,
C.T.Supuran.
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Ref.
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Eur J Med Chem, 2021,
212,
113035.
[DOI no: ]
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PubMed id
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Abstract
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Here we report the synthesis of a series of taurine substituted sulfonamide
derivatives 1-29 having the ureido moiety installed at the tail section as
selective inhibitors of the tumor associated human (h) Carbonic Anhydrase (CA;
EC 4.2.1.1) IX and XII. The series was deeply investigated for their kinetic
features which demonstrated a strong dependence on the ureido moiety. High
resolution X-ray crystallographic investigation on selected ligand adducts
complexed with hCA II and hCA IX-mimic revealed a strong correlation between the
ureido moiety and the amino acid residues Q92 and Q67 in both the hCA II and hCA
IX-mimic, contributing to highly stabilized ligand-protein complex.
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