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Ligand · 2SR

2SR · (2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol

2SR, (2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol (C23 H26 O5, 382.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
2SR
Formula
C23 H26 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

2SR in 2 structures; the first of them:

  • 4OGB · Crystal structure of the catalytic domain of PDE4D2 with compound 2 · 2SR A501 · binds HIS160, MET273, SER274, ASP318, LEU319, ILE336, PHE340, MET357 and 4 more
  • 4OGB · Crystal structure of the catalytic domain of PDE4D2 with compound 2 · 2SR A501 · binds HIS160, MET273, SER274, ASP318, LEU319, ILE336, PHE340, MET357 and 4 more

Residues it binds most

MET 8, PHE 8, SER 8, ILE 8, GLN 8, HIS 8, LEU 8, ASP 6 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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