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Ligand · JER

JER · (2~{S})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol

JER, (2~{S})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol (C25 H31 N3 O5, 453.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
JER
Formula
C25 H31 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

JER in 2 structures; the first of them:

  • 7EVZ · Cryo-EM structure of cenerimod -bound Sphingosine-1-phosphate receptor 1 in complex with… · JER D401 · binds LYS34, GLU121, MET124, PHE125, LEU128, SER129, VAL132, VAL194 and 5 more
  • 7EVZ · Cryo-EM structure of cenerimod -bound sphingosine-1-phosphate receptor 1 in complex with… · JER D401 · binds LYS34, GLU121, MET124, PHE125, LEU128, SER129, VAL132, VAL194 and 5 more

Residues it binds most

LEU 2, VAL 2, CYS 2, GLU 2, LYS 2, MET 2, PHE 2, SER 2, TRP 2 (residue and the binding sites it lines).

Found with

  • PLM · Palmitic acid

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