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Ligand · 8JN

8JN · 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R}, 5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione

8JN, 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R}, 5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione (C21 H28 N4 O3, 384.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
8JN
Formula
C21 H28 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

8JN in 2 structures; the first of them:

  • 5N2R · Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with… · 8JN A2401 · binds ILE66, VAL84, PHE168, GLU169, MET174, MET177, TRP246, LEU249 and 9 more
  • 5N2R · Crystal structure of stabilized A2A adenosine receptor A2AR-STAR2-bril in complex with… · 8JN A2401 · binds ILE66, VAL84, PHE168, GLU169, MET174, MET177, TRP246, LEU249 and 9 more

Residues it binds most

ILE 2, MET 2, HIS 2, ALA 2, ASN 2, GLU 2, LEU 2, PHE 2, THR 2, TRP 2 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • OLA · Oleic acid
  • NA · Sodium ion
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
  • TAR · D(-)-tartaric acid

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