タイトル | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. |
---|
ジャーナル・号・ページ | J. Med. Chem., Vol. 57, Page 1543-1556, Year 2014 |
---|
掲載日 | 2014年1月15日 (構造データの登録日) |
---|
著者 | He, S. / Senter, T.J. / Pollock, J. / Han, C. / Upadhyay, S.K. / Purohit, T. / Gogliotti, R.D. / Lindsley, C.W. / Cierpicki, T. / Stauffer, S.R. / Grembecka, J. |
---|
リンク | J. Med. Chem. / PubMed:24472025 |
---|
手法 | X線回折 |
---|
解像度 | 1.45 - 2.08 Å |
---|
構造データ | PDB-4og3: Human menin with bound inhibitor MIV-3R 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-4og4: Human menin with bound inhibitor MIV-3S 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-4og5: Human menin with bound inhibitor MIV-5 手法: X-RAY DIFFRACTION / 解像度: 1.63 Å PDB-4og6: Human menin with bound inhibitor MIV-4 手法: X-RAY DIFFRACTION / 解像度: 1.49 Å PDB-4og7: Human menin with bound inhibitor MIV-7 手法: X-RAY DIFFRACTION / 解像度: 2.08 Å PDB-4og8: Human menin with bound inhibitor MIV-6R 手法: X-RAY DIFFRACTION / 解像度: 1.53 Å |
---|
化合物 | ChemComp-2S6: 4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
ChemComp-2VK: 4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
ChemComp-2S7: 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile
ChemComp-2S9: 4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile
ChemComp-2SE: 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide
ChemComp-2SF: 4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile / MIV-6R
|
---|
由来 | homo sapiens (ヒト)
|
---|
キーワード | PROTEIN BINDING/INHIBITOR / Protein Binding / PROTEIN BINDING-INHIBITOR complex |
---|