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Ligand · 2NU

2NU · 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide

2NU, 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide (C9 H12 Br N3 O, 258.1 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
2NU
Formula
C9 H12 Br N3 O
Class
ligand
Structures
5
PDB entries
4

Binding sites

2NU in 5 structures; the first of them:

  • 7FSS · SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with… · 2NU B301 · binds ASP172, HIS175, LYS176, LYS179, ILE116, LEU117, CYS118, LYS119 and 4 more
  • 7GAR · PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with… · 2NU A201 · binds LYS49, LYS51, PHE52, LEU53, VAL54, PRO55, LEU63, ILE66 and 1 more
  • 7HG6 · PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex… · 2NU B103 · binds ASP30, GLY31, MET15, TYR18, TRP21, PHE44, THR47, GLU49
  • 7OXQ · Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA in complex… · 2NU C601 · binds TYR115, GLN151, TYR183, MET184, ASP185, DT705, DG822
  • 7OXQ · Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA in complex… · 2NU C601 · binds GLN151, MET184, ASP185, DT705, DG822

Residues it binds most

ASP 4, LYS 2, LEU 2, MET 3, TYR 2, DG 2, DT 2, GLN 2, ILE 2, PHE 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • CD · Cadmium ion
  • SO4 · Sulfate ion
  • ALA · Alanine
  • DGL · D-glutamic acid
  • GLY · Glycine
  • CL · Chloride ion

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