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Ligand · 9F4

9F4 · (1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide

9F4, (1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide (C20 H16 F N3 O2, 349.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
9F4
Formula
C20 H16 F N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

9F4 in 2 structures; the first of them:

  • 4CBT · Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC… · 9F4 A2035 · binds PRO676, GLU677, ARG681, PRO800, HIS802, HIS803, GLY811, PHE812 and 10 more
  • 4CBT · Design, synthesis, and biological evaluation of potent and selective class iia hdac… · 9F4 A2035 · binds PRO676, GLU677, ARG681, PRO800, HIS802, HIS803, GLY811, PHE812 and 10 more

Residues it binds most

HIS 6, GLY 6, PRO 6, ASP 6, GLU 6, PHE 6, ARG 6, LEU 6 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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