GL1X · GenesisL1 explorer

Ligand · UJB

UJB · (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one

UJB, (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one (C19 H22 Cl F3 N4 O2 S, 462.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
UJB
Formula
C19 H22 Cl F3 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

UJB in 2 structures; the first of them:

  • 4UWK · Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo… · UJB A1872 · binds PHE612, SER614, PRO618, ILE634, LYS636, ASP644, TYR670, MET682 and 9 more
  • 4UWK · Discovery of (2S)-8-((3R)-3-methylmorpholin-4-yl)-1-(3… · UJB A1872 · binds PHE612, SER614, PRO618, ILE634, LYS636, ASP644, TYR670, MET682 and 9 more

Residues it binds most

ILE 2, PHE 2, ASP 2, PRO 2, SER 2, GLN 2, LEU 2, LYS 2, MET 2, TYR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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