MTHFD2-IN-1
MTHFD2-IN-1 is a MTHFD2 inhibitor with selectivity for MTHFD2 binding over MTHFD1. MTHFD2-IN-1 binds to the substrate-binding site of MTHFD2 and interacts with Arg43, Asn87, Lys88, Gln132, Gly310 and Tyr84. MTHFD2-IN-1 can be used in cancer-related research.
商品は「研究用試薬」です。人や動物の医療用・臨床診断用・食品用の製品ではありません。
研究用途以外に使用した場合、当社は一切の責任を負いかねます。
- 分子式: C24H21NO6
- 分子量:419.43
-
保管条件:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
-
生物活性
-
化学情報
- 純度とドキュメンテーション
- 参考文献
-
Help & FAQs
生物活性
MTHFD2[1]
MTHFD2-IN-1 (compound 12) selectively binds to the MTHFD2 enzyme substrate binding site with a docking score of -9.0 kcal/mol and a calculated binding free energy of -75.94 kcal/mol, forming stable interactions with key selectivity-determining residues including Asn87, Lys88, and Tyr84[1].
MTHFD2-IN-1 binds poorly to the MTHFD1 enzyme substrate binding site with a docking score of -5.8 kcal/mol and a calculated binding free energy of -56.84 kcal/mol, lacking interactions with key MTHFD1 residues and confirming selective binding for MTHFD2[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
化学情報
-
分子量 419.43
-
分子式 C24H21NO6
-
SMILES
O=C(C1=CC=C(C=C1)C(N2CCC3=C(C(OC4=C3C=CC=C4C5CC(C5)O)=O)C2)=O)O
-
輸送条件
Room temperature in continental US; may vary elsewhere.
-
保管条件
Please store the product under the recommended conditions in the Certificate of Analysis.
純度とドキュメンテーション
参考文献
Calculators
濃度 (開始) × 体積 (開始) = 濃度 (終了) × 体積 (終了)
MTHFD2-IN-1 関連分類
HY-149825 関連分類
Powered by Bioz