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Ligand · 42U

42U · 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline

42U, 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline (C22 H23 F4 N5, 433.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
42U
Formula
C22 H23 F4 N5
Class
ligand
Structures
2
PDB entries
1

Binding sites

42U in 2 structures; the first of them:

  • 4XSZ · Crystal structure of CBR 9393 bound to Escherichia coli RNA polymerase holoenzyme · 42U C1401 · binds ASP444, VAL550, HIS551, PRO552, TYR555, ARG637, GLY640, GLU641 and 8 more
  • 4XSZ · Crystal structure of cbr 9393 bound to escherichia COLI RNA polymerase holoenzyme · 42U C1401 · binds ASP444, VAL550, HIS551, PRO552, TYR555, ARG637, GLY640, GLU641 and 8 more

Residues it binds most

HIS 4, ILE 4, PRO 4, ARG 4, ASP 4, GLU 4, GLY 4, LEU 4, LYS 4, PHE 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion

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