EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
ジャーナル・号・ページ	Eur. J. Med. Chem., Vol. 177, Page 316-337, Year 2019
掲載日	2018年7月23日 (構造データの登録日)
著者	Le Bihan, Y.V. / Lanigan, R.M. / Atrash, B. / McLaughlin, M.G. / Velupillai, S. / Malcolm, A.G. / England, K.S. / Ruda, G.F. / Mok, N.Y. / Tumber, A. ...Le Bihan, Y.V. / Lanigan, R.M. / Atrash, B. / McLaughlin, M.G. / Velupillai, S. / Malcolm, A.G. / England, K.S. / Ruda, G.F. / Mok, N.Y. / Tumber, A. / Tomlin, K. / Saville, H. / Shehu, E. / McAndrew, C. / Carmichael, L. / Bennett, J.M. / Jeganathan, F. / Eve, P. / Donovan, A. / Hayes, A. / Wood, F. / Raynaud, F.I. / Fedorov, O. / Brennan, P.E. / Burke, R. / van Montfort, R.L.M. / Rossanese, O.W. / Blagg, J. / Bavetsias, V.
リンク	Eur. J. Med. Chem. / PubMed:31158747
手法	X線回折
解像度	2.14 - 2.81 Å
構造データ	PDB-6h4o: Crystal structure of human KDM4A in complex with compound 18a 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-6h4p: Crystal structure of human KDM4A in complex with compound 16a 手法: X-RAY DIFFRACTION / 解像度: 2.19 Å PDB-6h4q: Crystal structure of human KDM4A in complex with compound 34a 手法: X-RAY DIFFRACTION / 解像度: 2.31 Å PDB-6h4r: Crystal structure of human KDM4A in complex with compound 17f 手法: X-RAY DIFFRACTION / 解像度: 2.14 Å PDB-6h4s: Crystal structure of human KDM4A in complex with compound 16m 手法: X-RAY DIFFRACTION / 解像度: 2.45 Å PDB-6h4t: Crystal structure of human KDM4A in complex with compound 19a 手法: X-RAY DIFFRACTION / 解像度: 2.38 Å PDB-6h4u: Crystal structure of human KDM4A in complex with compound 34b 手法: X-RAY DIFFRACTION / 解像度: 2.21 Å PDB-6h4v: Crystal structure of human KDM4A in complex with compound 34g 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-6h4w: Crystal structure of human KDM4A in complex with compound 19d 手法: X-RAY DIFFRACTION / 解像度: 2.81 Å PDB-6h4x: Crystal structure of human KDM4A in complex with compound 17b 手法: X-RAY DIFFRACTION / 解像度: 2.34 Å PDB-6h4y: Crystal structure of human KDM4A in complex with compound 17e 手法: X-RAY DIFFRACTION / 解像度: 2.38 Å PDB-6h4z: Crystal structure of human KDM5B in complex with compound 16a 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-6h50: Crystal structure of human KDM5B in complex with compound 34a 手法: X-RAY DIFFRACTION / 解像度: 2.19 Å PDB-6h51: Crystal structure of human KDM5B in complex with compound 34f 手法: X-RAY DIFFRACTION / 解像度: 2.21 Å PDB-6h52: Crystal structure of human KDM5B in complex with compound 34g 手法: X-RAY DIFFRACTION / 解像度: 2.14 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-FQH: 8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-CL: Unknown entry / クロリド ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-HOH: WATER ChemComp-FQ5: 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-FO2: 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-FQB: 8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-FQE: 8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-FOW: 8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-FQN: 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-FQQ: 8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-FNQ: 8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-FO8: 8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one ChemComp-MN: Unknown entry ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-PO4: PHOSPHATE ION / ホスファ-ト ChemComp-FQK*: 8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
由来	homo sapiens (ヒト)
キーワード	OXIDOREDUCTASE / Histone demethylase / Inhibitor / transcription