Entry Database : PDB / ID : 5k7k Structure visualization Downloads & linksTitle Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771 ComponentsCytochrome P450 2C9 Details Keywords OXIDOREDUCTASE / CYP2C9Function / homology Function and homology informationFunction Domain/homology Component
arachidonic acid 14,15-epoxygenase activity / arachidonic acid 11,12-epoxygenase activity / amide metabolic process / (S)-limonene 6-monooxygenase / (S)-limonene 7-monooxygenase / (R)-limonene 6-monooxygenase / (S)-limonene 6-monooxygenase activity / (S)-limonene 7-monooxygenase activity / (R)-limonene 6-monooxygenase activity / monocarboxylic acid metabolic process ... arachidonic acid 14,15-epoxygenase activity / arachidonic acid 11,12-epoxygenase activity / amide metabolic process / (S)-limonene 6-monooxygenase / (S)-limonene 7-monooxygenase / (R)-limonene 6-monooxygenase / (S)-limonene 6-monooxygenase activity / (S)-limonene 7-monooxygenase activity / (R)-limonene 6-monooxygenase activity / monocarboxylic acid metabolic process / urea metabolic process / Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) / omega-hydroxylase P450 pathway / CYP2E1 reactions / arachidonic acid epoxygenase activity / icosanoid biosynthetic process / epoxygenase P450 pathway / caffeine oxidase activity / Biosynthesis of maresin-like SPMs / Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) / monoterpenoid metabolic process / oxidative demethylation / Xenobiotics / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen / long-chain fatty acid biosynthetic process / estrogen metabolic process / unspecific monooxygenase / aromatase activity / Aspirin ADME / steroid metabolic process / steroid hydroxylase activity / xenobiotic catabolic process / monooxygenase activity / cholesterol metabolic process / xenobiotic metabolic process / oxidoreductase activity / iron ion binding / intracellular membrane-bounded organelle / heme binding / endoplasmic reticulum membrane / plasma membrane / cytoplasm Similarity search - Function Cytochrome P450, E-class, group I / Cytochrome p450 / Cytochrome P450 / Cytochrome P450, conserved site / Cytochrome P450 cysteine heme-iron ligand signature. / Cytochrome P450 / Cytochrome P450 superfamily / Cytochrome P450 / Orthogonal Bundle / Mainly Alpha Similarity search - Domain/homologyBiological species Homo sapiens (human)Method X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution : 2.3 Å DetailsAuthors Swain, N. / Chrencik, J. CitationJournal : J. Med. Chem. / Year : 2017Title: 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 ... Title : 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.Authors: 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. / ... Authors : 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. History Deposition May 26, 2016 Deposition site : RCSB / Processing site : RCSBRevision 1.0 Jun 7, 2017 Provider : repository / Type : Initial releaseRevision 1.1 Aug 30, 2017 Group : Database references / Category : citation / citation_authorItem : _citation.country / _citation.journal_abbrev ... _citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year Revision 1.2 Sep 6, 2017 Group : Database references / Category : citationItem : _citation.journal_volume / _citation.page_first / _citation.page_lastRevision 1.3 Sep 27, 2023 Group : Data collection / Database references / Refinement descriptionCategory : chem_comp_atom / chem_comp_bond ... chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item : _database_2.pdbx_DOI / _database_2.pdbx_database_accession
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