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PDBsum entry 3cwe

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Hydrolase PDB id
3cwe
Jmol
Contents
Protein chain
285 a.a.
Ligands
825
Metals
_MG ×3
Waters ×318

References listed in PDB file
Key reference
Title Discovery of [(3-Bromo-7-Cyano-2-Naphthyl)(difluoro)methyl]phosphonic acid, A potent and orally active small molecule ptp1b inhibitor
Authors Y.Han, M.Belley, C.I.Bayly, J.Colucci, C.Dufresne, A.Giroux, C.K.Lau, Y.Leblanc, D.Mckay, M.Therien, M.C.Wilson, K.Skorey, C.C.Chan, G.Scapin, B.P.Kennedy.
Ref. Bioorg.Med.Chem.Lett., 2008, 18, 3200-3205. [DOI no: 10.1016/j.bmcl.2008.04.064]
PubMed id 18477508
Abstract
A series of quinoline/naphthalene-difluoromethylphosphonates were prepared and were found to be potent PTP1B inhibitors. Most of these compounds bearing polar functionalities or large lipophilic residues did not show appreciable oral bioavailability in rodents while small and less polar analogs displayed moderate to good oral bioavailability. The title compound was found to have the best overall potency and pharmacokinetic profile and was found to be efficacious in animal models of diabetes and cancer.
PROCHECK
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