MTHFD2-IN-3
MTHFD2-IN-3 is a selective inhibitor of MTHFD2. MTHFD2-IN-3 binds to the substrate-binding site of MTHFD2, forms hydrogen bonds with Arg43, Lys88, Gln132, Asn87 and Gly310, and undergoes π-π stacking with Tyr84. MTHFD2-IN-3 can be used in cancer-related research.
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- 화학식: C22H19NO7S
- 분자량:441.45
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보관:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biological Activity
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Chemical Information
- 순도&문서
- References
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Help & FAQs
Biological Activity
MTHFD2[1]
MTHFD2-IN-3 (compound 10) binds potently and selectively to the substrate binding site of purified MTHFD2, with a Glide docking score of -9.0 kcal/mol and an MM-GBSA binding free energy of -76.20 kcal/mol, forming stable interactions with key selectivity-driving residues Arg43 and Asn87[1].
MTHFD2-IN-3 binds weakly to the substrate binding site of purified MTHFD1, with a Glide docking score of -5.3 kcal/mol and an MM-GBSA binding free energy of -36.56 kcal/mol, lacking stable interactions with key residues and demonstrating high dynamic instability[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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분자량 441.45
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화학식 C22H19NO7S
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SMILES
CS(=O)(CC1=CC=CC2=C1OC(C3=C2CCN(C3)C(C4=CC=C(C=C4)C(O)=O)=O)=O)=O
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Please store the product under the recommended conditions in the Certificate of Analysis.
순도&문서
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
MTHFD2-IN-3 Related Classifications
HY-149827 Related Classifications
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