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Ligand · F9N

F9N · 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide

F9N, 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide (C23 H33 N7 O3 S, 487.6 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its…

Component
F9N
Formula
C23 H33 N7 O3 S
Class
ligand
Structures
3
PDB entries
3

Binding sites

F9N in 3 structures; the first of them:

  • 6S73 · Crystal structure of NEK7 srs mutant bound to compound 51 · F9N A401 · binds ILE40, VAL48, ARG50, GLU112, ALA114, ASP115, GLY117, ASP118 and 2 more
  • 6S75 · Crystal structure of NEK7 bound to compound 51 · F9N A401 · binds ILE40, ARG42, VAL48, GLU112, ALA114, ASP115, ALA165, PHE168
  • 6SK9 · NEK2 bound to purine compound 51 · F9N A301 · binds ILE14, GLY15, THR16, CYS22, VAL35, LYS37, MET86, GLU87 and 8 more

Residues it binds most

ALA 7, ASP 7, GLU 7, GLY 4, PHE 7, ARG 5, ILE 6, VAL 6, LEU 4, CYS 1 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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