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Ligand · WMS

WMS · 5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine

WMS, 5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine (C10 H10 F N3 S, 223.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
WMS
Formula
C10 H10 F N3 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

WMS in 3 structures; the first of them:

  • 5RWF · INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2… · WMS A901 · binds LEU614, SER615, LEU620, ARG623, ARG624
  • 7HKT · Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA… · WMS A1012 · binds ARG770, LYS841, GLN845, ILE851, GLY852
  • 5RWF · INPP5D pandda analysis group deposition -- crystal structure of the phosphatase and C2… · WMS A901 · binds LEU614, SER615, LEU620, ARG623, ARG624

Residues it binds most

LEU 3, ARG 3, GLY 2, SER 3, GLU 1, ALA 1, CYS 1, GLN 1, HIS 1, ILE 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • ZN · Zinc ion
  • PO4 · Phosphate ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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