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Ligand · V2E

V2E · 3-morpholin-4-yl-4-nitro-benzaldehyde

V2E, 3-morpholin-4-yl-4-nitro-benzaldehyde (C11 H12 N2 O4, 236.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
V2E
Formula
C11 H12 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

V2E in 2 structures; the first of them:

  • 7O57 · 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-157 · V2E A301 · binds ASN42, VAL46, LYS122, PRO167, ILE168, GLY171, ILE219, ILE46 and 3 more
  • 7O57 · 14-3-3 sigma with RELA/P65 binding site PS45 and covalently bound TCF521-157 · V2E A301 · binds ASN42, VAL46, LYS122, PRO167, GLY171, ILE219, ILE46, ARG50

Residues it binds most

ILE 2, GLY 2, ARG 2, ASN 2, LYS 2, PRO 2, VAL 2, SER 1 (residue and the binding sites it lines).

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