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Ligand · S53

S53 · [7-benzyl-2-(5-fluoro-2-methylphenoxy)-1-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl](piperazin-1-yl)methanone

S53, [7-benzyl-2-(5-fluoro-2-methylphenoxy)-1-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl](piperazin-1-yl)methanone (C32 H29 F N4 O2, 520.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
S53
Formula
C32 H29 F N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

S53 in 2 structures; the first of them:

  • 3SFC · Structure-Based Optimization of Potent 4- and 6-Azaindole-3-Carboxamides as Renin… · S53 A330 · binds GLN13, VAL30, ASP32, GLY34, TYR75, SER76, THR77, PRO111 and 12 more
  • 3SFC · Structure-based optimization of potent 4- and 6-azaindole-3- carboxamides as renin… · S53 A330 · binds GLN13, VAL30, ASP32, GLY34, TYR75, SER76, THR77, PRO111 and 12 more

Residues it binds most

ASP 6, LEU 6, PHE 6, ALA 4, GLY 4, SER 4, VAL 4, TYR 4, GLN 4, MET 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • GOL · Glycerol

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