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Ligand · EX3

EX3 · 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine

EX3, 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine (C27 H30 F N7 O, 487.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
EX3
Formula
C27 H30 F N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

EX3 in 2 structures; the first of them:

  • 6LW1 · Cryo-EM structure of TLR7/Cpd-7 (DSR-139970) complex in open form · EX3 A1001 · binds TYR264, ASN265, GLN323, PHE349, PHE351, GLU352, LEU353, GLN354 and 10 more
  • 6LW1 · Cryo-EM structure of TLR7/CPD-7 (dsr-139970) complex in open form · EX3 A1001 · binds TYR264, ASN265, PHE349, PHE351, GLU352, LEU353, GLN354, VAL355 and 8 more

Residues it binds most

PHE 4, GLN 4, VAL 4, TYR 4, ASN 4, GLU 4, GLY 4, LEU 4, SER 4, THR 4 (residue and the binding sites it lines).

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