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Ligand · 09W

09W · ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

09W, ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (C21 H19 N3 O2 S, 377.5 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (5 PDB entries). Every binding site with its…

Component
09W
Formula
C21 H19 N3 O2 S
Class
ligand
Structures
9
PDB entries
5

Binding sites

09W in 9 structures; the first of them:

  • 7OQ7 · Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ162 · 09W A301 · binds GLU14, CYS38, GLU39, ASN42, LEU43, VAL46, LEU218, VAL595
  • 7OQJ · Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ162 · 09W A301 · binds GLU14, CSO38, GLU39, ASN42, LEU43, VAL46, ARG177
  • 7OR5 · Ternary complex of 14-3-3 sigma, NotchpS1917 phosphopeptide, and WQ162 · 09W A302 · binds GLU14, CSO38, GLU39, ASN42, LEU43, VAL46, PRO167, ASP215 and 1 more
  • 7ORG · Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ162 · 09W A301 · binds GLU14, CSO38, GLU39, ASN42, LEU43, VAL46, LEU218, ILE219
  • 7OQ7 · Ternary complex of 14-3-3 sigma, estrogen receptor alfa phosphopeptide, and WQ162 · 09W A301 · binds GLU14, CYS38, GLU39, ASN42, LEU43, VAL46, LEU218
  • 7OQA · Ternary complex of 14-3-3 sigma, PIN1PS72 phosphopeptide, and WQ162 · 09W A301 · binds ILE191, LYS195, ARG224, LEU227, THR228, THR231
  • 7OQJ · Ternary complex of 14-3-3 sigma, amot-P130 phosphopeptide, and WQ162 · 09W A301 · binds GLU14, CSO38, GLU39, ASN42, LEU43, VAL46, ARG177
  • 7OR5 · Ternary complex of 14-3-3 sigma, NOTCHPS1917 phosphopeptide, and WQ162 · 09W A302 · binds GLU14, CSO38, GLU39, ASN42, LEU43, VAL46, PRO167, ASP215 and 1 more
  • 7ORG · Ternary complex of 14-3-3 sigma, P27PT198 phosphopeptide, and WQ162 · 09W A301 · binds GLU14, CSO38, GLU39, ASN42, LEU43, VAL46, LEU218

Residues it binds most

ASN 15, GLU 11, LEU 12, ILE 11, CSO 11, VAL 9, ASP 9, PRO 9, THR 3, ARG 5 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • MG · Magnesium ion
  • BME · Beta-mercaptoethanol

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