GL1X · GenesisL1 explorer

Ligand · 7A5

7A5 · (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one

7A5, (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one (C18 H25 F3 N4 O3, 402.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
7A5
Formula
C18 H25 F3 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

7A5 in 2 structures; the first of them:

  • 4UWL · Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo… · 7A5 A1872 · binds PHE612, SER614, PRO618, ILE634, LYS636, ASP644, TYR670, MET682 and 10 more
  • 4UWL · Discovery of (2S)-8-((3R)-3-methylmorpholin-4-yl)-1-(3… · 7A5 A1872 · binds PHE612, SER614, PRO618, ILE634, LYS636, ASP644, TYR670, MET682 and 10 more

Residues it binds most

ASP 2, ILE 2, PHE 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

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