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Ligand · SRQ

SRQ · 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate

SRQ, 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate (C14 H15 F2 N O3, 283.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
SRQ
Formula
C14 H15 F2 N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

SRQ in 2 structures; the first of them:

  • 7B2Y · Notum complex with ARUK3003910 · SRQ A506 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 7 more
  • 7B2Y · Notum complex with ARUK3003910 · SRQ A506 · binds GLY126, GLY127, TRP128, TYR129, SER232, ALA233, THR236, PHE268 and 2 more

Residues it binds most

ALA 2, GLY 2, PHE 2, HIS 2, SER 2, THR 2, TRP 2, TYR 2, VAL 1, ILE 1 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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