6M95
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1
エンティティ
Entity ID | 鎖名 | 説明 | 種類 | 鎖長 | 化学式量 | 分子数 | データベース名(アクセス番号) | 由来する生物種 | エンティティの一般名 |
1 | A | Mitogen-activated protein kinase 14 | polymer | 388 | 44688.7 | 1 | UniProt (Q16539) Pfam (PF00069) In PDB | Homo sapiens (Human) | MAPK 14,Cytokine suppressive anti-inflammatory drug-binding protein,CSBP,MAP kinase MXI2,MAX-interacting protein 2,Mitogen-activated protein kinase p38 alpha,MAP kinase p38 alpha,Stress-activated protein kinase 2a,SAPK2a |
2 | A | (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone | non-polymer | 355.5 | 1 | Chemie (J8S) | |||
3 | water | water | 18.0 | 310 | Chemie (HOH) |
配列変更
A: 1 - 360 (UniProt: Q16539)
PDB | 外部データベース | 詳細 |
---|---|---|
Met -27 | - | initiating methionine |
Ser -26 | - | expression tag |
Tyr -25 | - | expression tag |
Tyr -24 | - | expression tag |
His -23 | - | expression tag |
His -22 | - | expression tag |
His -21 | - | expression tag |
His -20 | - | expression tag |
His -19 | - | expression tag |
His -18 | - | expression tag |
Asp -17 | - | expression tag |
Tyr -16 | - | expression tag |
Asp -15 | - | expression tag |
Ile -14 | - | expression tag |
Pro -13 | - | expression tag |
Thr -12 | - | expression tag |
Thr -11 | - | expression tag |
Glu -10 | - | expression tag |
Asn -9 | - | expression tag |
Leu -8 | - | expression tag |
Tyr -7 | - | expression tag |
Phe -6 | - | expression tag |
Gln -5 | - | expression tag |
Gly -4 | - | expression tag |
Ala -3 | - | expression tag |
Met -2 | - | expression tag |
Gly -1 | - | expression tag |
Ser 0 | - | expression tag |
Ser 119 | Cys 119 | conflict |
Ser 162 | Cys 162 | conflict |
配列ビューア
非対称単位の内容
タンパク質・ 核酸鎖 | 鎖の数 | 1 |
化学式量合計 | 44688.7 | |
タンパク質・ 核酸・ 糖鎖以外* | 分子数 | 1 |
化学式量合計 | 355.5 | |
全て* | 化学式量合計 | 45044.2 |