7G4X

Crystal Structure of rat Autotaxin in complex with N'-(4-butylphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]oxamide, i.e. SMILES S(=O)(=O)(N1CCN(CC1)CCNC(=O)C(=O)Nc1ccc(cc1)CCCC)c1ccc(cc1)C with IC50=0.0469096 microM

7G4X の概要

• エントリーDOI: 10.2210/pdb7g4x/pdb
• Group deposition: To be published (G_1002267)
• 分子名称: Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N~1~-(4-butylphenyl)-N~2~-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}ethanediamide, ... (10 entities in total)
• 機能のキーワード: hydrolase, lysophosphatidic acid, lpa, lysophosphatidylcholine, lpc, somatomedin, metastasis, neuropathic pain, vascular development, neural development
• 由来する生物種: Rattus norvegicus (Norway rat)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 99571.28

構造登録者

Stihle, M.,Benz, J.,Hunziker, D.,Canesso, R.,Rudolph, M.G. (登録日: 2023-06-05, 公開日: 2024-12-18)

• 主引用文献: Hunziker, D.,Joachim, S.C.,Ullmer, C.,Rudolph, M.G.; Crystal Structure of a rat Autotaxin complex; To be published,

実験手法

X-RAY DIFFRACTION (1.8 Å)