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Ligand · 8E2

8E2 · Preladenant conjugate psb-2113

8E2, Preladenant conjugate psb-2113 (C38 H52 N10 O9, 792.9 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
8E2
Formula
C38 H52 N10 O9
Class
ligand
Structures
1
PDB entries
1

Binding sites

8E2 in 1 structure; the first of them:

  • 7PX4 · Crystal structure of the adenosine A2A receptor (A2A-PSB1-bril) in complex with… · 8E2 A2404 · binds SER67, THR68, LEU85, LEU167, PHE168, GLU169, MET177, TRP246 and 9 more

Residues it binds most

LEU 1, HIS 1, MET 1, ALA 1, ASN 1, GLU 1, ILE 1, PHE 1, SER 1, THR 1 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • OLA · Oleic acid
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
  • PEG · Di(hydroxyethyl)ether

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