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Ligand · 8P4

8P4 · 1-(4-fluorophenyl)thiourea

8P4, 1-(4-fluorophenyl)thiourea (C7 H7 F N2 S, 170.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
8P4
Formula
C7 H7 F N2 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

8P4 in 2 structures; the first of them:

  • 5PHG · Pandda analysis group deposition -- crystal structure of JMJD2D in complex with N09689A · 8P4 A416 · binds TYR63, ILE66, SER67, GLY99, ARG102, LEU206, PHE287
  • 6CQC · RNase P protein from thermotoga maritima in complex with 1-(4- fluorophenyl)-2-thiourea · 8P4 D201 · binds LYS51, LYS53, PHE54, PRO88, ARG89, LYS90, SER93

Residues it binds most

LYS 1, ARG 2, PHE 2, SER 2, GLY 1, ILE 1, LEU 1, PRO 1, TYR 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • OGA · N-oxalylglycine
  • NI · Nickel (II) ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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