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Ligand · U9U

U9U · 5-hydroxy-6-oxo-N-[2-(pyridin-4-yl)ethyl]-2-{[2-(trifluoromethyl)phenyl]methyl}-3,6-dihydropyrimidine-4-carboxamide

U9U, 5-hydroxy-6-oxo-N-[2-(pyridin-4-yl)ethyl]-2-{[2-(trifluoromethyl)phenyl]methyl}-3,6-dihydropyrimidine-4-carboxamide (C20 H17 F3 N4 O3, 418.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every…

Component
U9U
Formula
C20 H17 F3 N4 O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

U9U in 2 structures; the first of them:

  • 8E21 · The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with… · U9U A203 · binds ALA20, MET21, TYR24, GLU26, LYS34, ILE38, HIS41, GLU80 and 7 more
  • 8E4S · The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex… · U9U A203 · binds ALA20, MET21, TYR24, GLU26, LYS34, THR38, HIS41, GLU80 and 5 more

Residues it binds most

GLU 2, TYR 2, ILE 2, LYS 2, ALA 2, ASP 2, GLY 2, HIS 2, MET 2, THR 1 (residue and the binding sites it lines).

Found with

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

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