5K7K

Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771

Summary for 5K7K

• Entry DOI: 10.2210/pdb5k7k/pdb
• Descriptor: Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE, 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide, ... (4 entities in total)
• Functional Keywords: cyp2c9, oxidoreductase
• Biological source: Homo sapiens (Human)
• Cellular location: Endoplasmic reticulum membrane; Peripheral membrane protein: P11712
• Total number of polymer chains: 1
• Total formula weight: 55397.29

Authors

Swain, N.,Chrencik, J. (deposition date: 2016-05-26, release date: 2017-06-07, Last modification date: 2023-09-27)

• Primary citation: 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.; Discovery 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.; J. Med. Chem., 60:7029-7042, 2017; PubMed: 28682065; DOI: 10.1021/acs.jmedchem.7b00598

Experimental method

X-RAY DIFFRACTION (2.3 Å)