7G6Y

Crystal Structure of rat Autotaxin in complex with 1-[4-[[7-[(3,4-difluorophenyl)methyl]-9-methyl-8-oxopurin-2-yl]amino]benzoyl]piperidine-4-sulfonamide, i.e. SMILES c1nc(nc2c1N(C(=O)N2C)Cc1ccc(c(c1)F)F)Nc1ccc(cc1)C(=O)N1CCC(CC1)S(=O)(=O)N with IC50=0.00233021 microM

7G6Y の概要

• エントリーDOI: 10.2210/pdb7g6y/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, 1-[4-({7-[(3,4-difluorophenyl)methyl]-9-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl}amino)benzoyl]piperidine-4-sulfonamide, ... (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: 99560.19

構造登録者

Stihle, M.,Benz, J.,Hunziker, D.,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 (1.48 Å)