タイトル | Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. |
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ジャーナル・号・ページ | Bioorg. Med. Chem. Lett., Vol. 17, Page 3880-, Year 2007 |
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掲載日 | 2007年4月27日 (構造データの登録日) |
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著者 | Richardson, C.M. / Nunns, C.L. / Williamson, D.S. / Parratt, M.J. / Dokurno, P. / Howes, R. / Borgognoni, J. / Drysdale, M.J. / Finch, H. / Hubbard, R.E. ...Richardson, C.M. / Nunns, C.L. / Williamson, D.S. / Parratt, M.J. / Dokurno, P. / Howes, R. / Borgognoni, J. / Drysdale, M.J. / Finch, H. / Hubbard, R.E. / Jackson, P.S. / Kierstan, P. / Lentzen, G. / Moore, J.D. / Murray, J.B. / Simmonite, H. / Surgenor, A.E. / Torrance, C.J. |
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リンク | Bioorg. Med. Chem. Lett. / PubMed:17570665 |
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手法 | X線回折 |
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解像度 | 2.2 - 2.72 Å |
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構造データ | PDB-2uzb: Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-2uzd: Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.72 Å PDB-2uze: Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-2uzl: Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-2uzn: Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-2uzo: Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-2v0d: Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å |
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化合物 | ChemComp-C75: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE
ChemComp-C85: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE
ChemComp-C95: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID
ChemComp-C94: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
ChemComp-C96: 4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE
ChemComp-C62: 4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE
ChemComp-C53: 2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE / ATP-BINDING / PHOSPHORYLATION / CDK2 / KINASE / CYCLIN / MITOSIS / CELL CYCLE / CELL DIVISION / NUCLEOTIDE-BINDING / SERINE/THREONINE-PROTEIN KINASE / THIAZOLIDINONE LIGAND / NUCLEOTIDE- BINDING |
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