HECT E3-IN-1

• CAT Number: I041178
• CAS Number: 1810058-52-6
• Molecular Formula: C21H26N2O4
• Molecular Weight: 370.44
• Purity: ≥95%
• Synonyms: methyl (E)-4-[(1-cyclopentyl-5-methoxy-2-methylindole-3-carbonyl)amino]but-2-enoate
• InChI: InChI=1S/C21H26N2O4/c1-14-20(21(25)22-12-6-9-19(24)27-3)17-13-16(26-2)10-11-18(17)23(14)15-7-4-5-8-15/h6,9-11,13,15H,4-5,7-8,12H2,1-3H3,(H,22,25)/b9-6+
• InChIKey: ONZCVJIBENGLKN-RMKNXTFCSA-N
• SMILES: CC1=C(C2=C(N1C3CCCC3)C=CC(=C2)OC)C(=O)NCC=CC(=O)OC

HECT E3-IN-1 (compound 3) is a HECT E3 ligase inhibitor. HECT E3-IN-1 (compound 3) disrupts Ub binding to the noncovalent Ub-binding site of Nedd4-1[1].

Reference

[1]. Stefan G Kathman, et al. A Small Molecule That Switches a Ubiquitin Ligase From a Processive to a Distributive Enzymatic Mechanism. J Am Chem Soc. 2015 Oct 7;137(39):12442-5.
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