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Ligand · XAC

XAC · N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide

XAC, N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide (C21 H28 N6 O4, 428.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
XAC
Formula
C21 H28 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

XAC in 2 structures; the first of them:

  • 3REY · Thermostabilised adenosine A2A receptor in complex with XAC · XAC A999 · binds TYR9, ILE66, SER67, ILE80, ALA81, VAL84, LEU85, PHE168 and 8 more
  • 3REY · Thermostabilised adenosine A2A receptor in complex with xac · XAC A999 · binds TYR9, ILE66, SER67, ILE80, ALA81, VAL84, LEU85, PHE168 and 8 more

Residues it binds most

ILE 2, LEU 2, MET 2, TYR 2, ALA 2, ASN 2, HIS 2, PHE 2, SER 2, VAL 2 (residue and the binding sites it lines).

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