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Ligand · SE9

SE9 · (2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide

SE9, (2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide (C20 H17 F3 N4 O4, 434.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries).…

Component
SE9
Formula
C20 H17 F3 N4 O4
Class
ligand
Structures
2
PDB entries
2

Binding sites

SE9 in 2 structures; the first of them:

  • 8DIP · The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex… · SE9 A204 · binds ALA20, MET21, TYR24, GLU26, LYS34, ALA37, THR38, HIS41 and 8 more
  • 8DPJ · The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with… · SE9 A204 · binds ALA20, MET21, TYR24, GLU26, LYS34, ALA37, ILE38, HIS41 and 11 more

Residues it binds most

GLU 2, ALA 2, TYR 2, ILE 2, LYS 2, ARG 2, ASP 2, GLY 2, HIS 2, LEU 2 (residue and the binding sites it lines).

Found with

  • QQ4 · Hexa Vinylpyrrolidone K15
  • MN · Manganese (II) ion
  • SO4 · Sulfate ion

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