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Ligand · LJM

LJM · 5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide

LJM, 5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide (C13 H13 F N2 O S, 264.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
LJM
Formula
C13 H13 F N2 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

LJM in 2 structures; the first of them:

  • 5QP6 · PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with… · LJM A306 · binds VAL115, GLY117, ALA120, LYS121, SER122, GLY123, GLY125, LYS128 and 4 more
  • 5QP6 · Pandda analysis group deposition -- crystal structure of DCP2 (NUDT20) in complex with… · LJM A306 · binds VAL115, GLY117, ALA120, LYS121, SER122, GLY123, GLY125, LYS128 and 4 more

Residues it binds most

GLY 2, LYS 2, ALA 2, GLU 2, ILE 2, MET 2, PHE 2, SER 2, VAL 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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