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TitleDiscovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 7029-7042, Year 2017
Publish dateMay 26, 2016 (structure data deposition date)
AuthorsSwain, N.A. / Batchelor, D. / Beaudoin, S. / Bechle, B.M. / Bradley, P.A. / Brown, A.D. / Brown, B. / Butcher, K.J. / Butt, R.P. / Chapman, M.L. ...Swain, N.A. / Batchelor, D. / Beaudoin, S. / Bechle, B.M. / Bradley, P.A. / Brown, A.D. / Brown, B. / Butcher, K.J. / Butt, R.P. / Chapman, M.L. / Denton, S. / Ellis, D. / Galan, S.R.G. / Gaulier, S.M. / Greener, B.S. / de Groot, M.J. / Glossop, M.S. / Gurrell, I.K. / Hannam, J. / Johnson, M.S. / Lin, Z. / Markworth, C.J. / Marron, B.E. / Millan, D.S. / Nakagawa, S. / Pike, A. / Printzenhoff, D. / Rawson, D.J. / Ransley, S.J. / Reister, S.M. / Sasaki, K. / Storer, R.I. / Stupple, P.A. / West, C.W.
External linksJ. Med. Chem. / PubMed:28682065
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-5k7k:
Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-6RJ:
4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / CYP2C9

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