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Ligand · S44

S44 · (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl) amino]methyl}benzyl)butanoic acid

S44, (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl) amino]methyl}benzyl)butanoic acid (C32 H41 N O4, 503.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
S44
Formula
C32 H41 N O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

S44 in 2 structures; the first of them:

  • 7E5F · Human ppar alpha ligand binding domain in complex with TIPP703 obtained by soaking · S44 A501 · binds ILE241, LEU247, ALA250, GLU251, LEU254, VAL255, PHE273, CYS275 and 20 more
  • 7E5F · Human ppar alpha ligand binding domain in complex with TIPP703 obtained by soaking · S44 A501 · binds ILE241, LEU247, GLU251, LEU254, VAL255, PHE273, CYS275, CYS276 and 16 more

Residues it binds most

LEU 2, MET 2, PHE 2, VAL 2, CYS 2, ILE 2, TYR 2, ALA 2, GLN 2, GLU 2 (residue and the binding sites it lines).

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