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Ligand · 1YY

1YY · (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol

1YY, (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol (C23 H30 F3 N3 O4 S2, 533.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
1YY
Formula
C23 H30 F3 N3 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1YY in 2 structures; the first of them:

  • 4LY9 · Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorphol… · 1YY A714 · binds HIS9, VAL10, ILE11, TYR24, VAL28, PRO29, THR31, GLU32 and 19 more
  • 4LY9 · Human gkrp complexed to amg-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2… · 1YY A714 · binds HIS9, VAL10, ILE11, TYR24, VAL28, PRO29, THR31, GLU32 and 19 more

Residues it binds most

ARG 4, SER 4, ALA 4, HIS 4, LYS 4, MET 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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