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Ligand · UR4

UR4 · 2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

UR4, 2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (C12 H12 N2 O2 S, 248.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
UR4
Formula
C12 H12 N2 O2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

UR4 in 4 structures; the first of them:

  • 5RHV · PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in… · UR4 A705 · binds GLY444, PRO445, MET446, PRO447, GLY476, CYS477, ALA478
  • 7BC9 · Notum Fragment 690 · UR4 A509 · binds TRP128, TYR129, VAL187, SER232, ALA233, THR236, PHE268, ILE291 and 5 more
  • 5RHV · Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in… · UR4 A705 · binds GLY444, PRO445, MET446, PRO447, GLY476, ALA478
  • 7BC9 · Notum fragment 690 · UR4 A509 · binds TRP128, TYR129, SER232, ALA233, THR236, PHE268, ILE291, PHE319 and 3 more

Residues it binds most

ALA 4, PHE 2, GLY 2, PRO 2, THR 2, VAL 2, ILE 2, MET 2, SER 2, TRP 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • MPD · (4S)-2-methyl-2,4-pentanediol

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