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Ligand · Q3B

Q3B · 1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea

Q3B, 1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea (C27 H26 N8 O3 S, 542.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
Q3B
Formula
C27 H26 N8 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Q3B in 2 structures; the first of them:

  • 5ALI · ligand complex structure of soluble epoxide hydrolase · Q3B A1553 · binds PHE267, PRO268, ASP335, TRP336, MET339, TYR343, PRO361, ILE363 and 15 more
  • 5ALI · Ligand complex structure of soluble epoxide hydrolase · Q3B A1553 · binds PHE267, PRO268, ASP335, TRP336, MET339, TYR343, PRO361, ILE363 and 15 more

Residues it binds most

LEU 2, MET 2, PHE 2, TYR 2, ILE 2, PRO 2, TRP 2, ASP 2, GLN 2, HIS 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • PEG · Di(hydroxyethyl)ether

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