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Ligand · EDM

EDM · 6-ethenyl-N,N-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine

EDM, 6-ethenyl-N,N-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine (C9 H13 N3 O2 S, 227.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
EDM
Formula
C9 H13 N3 O2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

EDM in 4 structures; the first of them:

  • 3ISN · Crystal structure of HIV-1 RT bound to A 6-vinylpyrimidine inhibitor · EDM C561 · binds MET184, ASP186, MET230, GLY231, ILE244, GLY262, LYS263, TRP266
  • 3ITH · Crystal structure of the HIV-1 reverse transcriptase bound to a 6-vinylpyrimidine… · EDM A561 · binds TYR183, MET184, MET230, GLY231, GLN242, ILE244, LYS259, GLY262 and 2 more
  • 3ISN · Crystal structure of HIV-1 rt bound to a 6-vinylpyrimidine inhibitor · EDM C561 · binds MET184, ASP186, MET230, GLY231, ILE244, GLY262, LYS263, TRP266
  • 3ITH · Crystal structure of the HIV-1 reverse transcriptase bound to a 6-vinylpyrimidine… · EDM C561 · binds MET184, ASP186, MET230, GLY231, ILE244, GLY262, LYS263, TRP266

Residues it binds most

GLY 6, MET 6, LYS 6, ILE 6, TRP 6, ASP 4, GLN 2, TYR 2 (residue and the binding sites it lines).

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