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Ligand · 5YU

5YU · N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide

5YU, N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide (C21 H20 F N5 O2 S3, 489.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
5YU
Formula
C21 H20 F N5 O2 S3
Class
ligand
Structures
2
PDB entries
1

Binding sites

5YU in 2 structures; the first of them:

  • 7RIU · human PXR LBD bound to GSK002 · 5YU A501 · binds LEU209, LEU240, MET243, ALA244, SER247, PHE251, PHE281, GLN285 and 9 more
  • 7RIU · Human pxr lbd bound to GSK002 · 5YU A501 · binds LEU209, LEU240, MET243, ALA244, SER247, PHE251, PHE281, PHE288 and 8 more

Residues it binds most

PHE 2, LEU 2, MET 2, ALA 2, HIS 2, SER 2, TRP 2, TYR 2, GLN 1 (residue and the binding sites it lines).

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