タイトル | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors. |
---|
ジャーナル・号・ページ | J. Med. Chem., Vol. 65, Page 8169-8190, Year 2022 |
---|
掲載日 | 2021年11月9日 (構造データの登録日) |
---|
著者 | Davis, O.A. / Cheung, K.J. / Brennan, A. / Lloyd, M.G. / Rodrigues, M.J. / Pierrat, O.A. / Collie, G.W. / Le Bihan, Y.V. / Huckvale, R. / Harnden, A.C. ...Davis, O.A. / Cheung, K.J. / Brennan, A. / Lloyd, M.G. / Rodrigues, M.J. / Pierrat, O.A. / Collie, G.W. / Le Bihan, Y.V. / Huckvale, R. / Harnden, A.C. / Varela, A. / Bright, M.D. / Eve, P. / Hayes, A. / Henley, A.T. / Carter, M.D. / McAndrew, P.C. / Talbot, R. / Burke, R. / van Montfort, R.L.M. / Raynaud, F.I. / Rossanese, O.W. / Meniconi, M. / Bellenie, B.R. / Hoelder, S. |
---|
リンク | J. Med. Chem. / PubMed:35657291 |
---|
手法 | X線回折 |
---|
解像度 | 1.44 - 1.81 Å |
---|
構造データ | PDB-7q7r: Crystal structure of human BCL6 BTB domain in complex with compound 1 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-7q7s: Crystal structure of human BCL6 BTB domain in complex with compound 4 手法: X-RAY DIFFRACTION / 解像度: 1.44 Å PDB-7q7t: Crystal structure of human BCL6 BTB domain in complex with compound 7 手法: X-RAY DIFFRACTION / 解像度: 1.46 Å PDB-7q7u: Crystal structure of human BCL6 BTB domain in complex with compound 9a 手法: X-RAY DIFFRACTION / 解像度: 1.78 Å PDB-7q7v: Crystal structure of human BCL6 BTB domain in complex with compound 12a 手法: X-RAY DIFFRACTION / 解像度: 1.81 Å |
---|
化合物 | ChemComp-9IH: 2-chloranyl-4-[[(2S)-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
ChemComp-97S: 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
ChemComp-9FW: 2-chloranyl-4-[[(2S)-2,7-dimethyl-5,6-bis(oxidanylidene)-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
ChemComp-9IE: 2-chloranyl-4-[[(2S)-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
ChemComp-9GR: 2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
|
---|
由来 | - homo sapiens (ヒト)
- synthetic construct (人工物)
|
---|
キーワード | TRANSCRIPTION / Inhibitor |
---|