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Ligand · MG9

MG9 · 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol

MG9, 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol (C21 H20 F6 N4 O3 S, 522.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
MG9
Formula
C21 H20 F6 N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

MG9 in 2 structures; the first of them:

  • 4MQU · Human GKRP complexed to AMG-3969 and S6P · MG9 A701 · binds VAL10, TYR24, VAL28, PRO29, GLU32, LYS33, SER34, GLY181 and 16 more
  • 4MQU · Human gkrp complexed to amg-3969 and S6P · MG9 A701 · binds VAL10, TYR24, VAL28, PRO29, GLU32, LYS33, SER34, GLY181 and 16 more

Residues it binds most

ARG 4, ALA 4, LEU 4, LYS 4, MET 4, SER 4, VAL 4, ASN 4, ASP 4, GLN 4 (residue and the binding sites it lines).

Found with

  • S6P · D-sorbitol-6-phosphate
  • IOD · Iodide ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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