| タイトル | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators. |
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| ジャーナル・号・ページ | J. Med. Chem., Vol. 67, Page 14432-14442, Year 2024 |
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| 掲載日 | 2022年3月21日 (構造データの登録日) |
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著者 | Tangallapally, R. / Subramanian, C. / Yun, M.K. / Edwards, A. / Sharma, L.K. / Yang, L. / Creed, K. / Wang, J. / Jackowski, S. / Rock, C.O. ...Tangallapally, R. / Subramanian, C. / Yun, M.K. / Edwards, A. / Sharma, L.K. / Yang, L. / Creed, K. / Wang, J. / Jackowski, S. / Rock, C.O. / White, S.W. / Lee, R.E. |
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リンク | J. Med. Chem. / PubMed:39136313 |
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| 手法 | X線回折 |
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| 解像度 | 1.55 - 2 Å |
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| 構造データ | PDB-7ue3: PANK3 complex structure with compound PZ-3804 手法: X-RAY DIFFRACTION / 解像度: 1.56 Å PDB-7ue4: PANK3 complex structure with compound PZ-3855 手法: X-RAY DIFFRACTION / 解像度: 1.94 Å PDB-7ue5: PANK3 complex structure with compound PZ-3741 手法: X-RAY DIFFRACTION / 解像度: 1.63 Å PDB-7ue6: PANK3 complex structure with compound PZ-3802 手法: X-RAY DIFFRACTION / 解像度: 1.74 Å PDB-7ue7: PANK3 complex structure with compound PZ-3883 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-7ueo: PANK3 complex structure with compound PZ-3977 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-7uep: PANK3 complex structure with compound PZ-3860 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7ueq: PANK3 complex structure with compound PZ-4061 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å |
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| 化合物 | ChemComp-ND6: 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
ChemComp-ANP: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP, エネルギー貯蔵分子類似体*YM
ChemComp-Y89: 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one
ChemComp-Y88: 6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
ChemComp-Y99: 6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
ChemComp-NDK: 6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile
ChemComp-NE3: 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
ChemComp-Y90: 6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
ChemComp-Y93: 1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one
ChemComp-N06: 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one
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| 由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE / PANK / Substrate / Complex / Pantothenate kinase / Inhibitor / Activator / TRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex |
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