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Ligand · 8W1

8W1 · (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one

8W1, (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one (C9 H7 F3 N2 O, 216.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
8W1
Formula
C9 H7 F3 N2 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

8W1 in 3 structures; the first of them:

  • 7SE9 · Crystal structure of human Fibrillarin in complex with compound 1 from single soak · 8W1 A401 · binds LEU166, GLY167, VAL190, GLU191, PHE192, ALA217, ALA235, ASP236 and 4 more
  • 7SE8 · Crystal structure of human fibrillarin in complex with fragment 1 from cocktail soak · 8W1 A401 · binds LEU166, GLY167, GLU191, PHE192, ALA217, ASP236, GLN242, ILE245 and 1 more
  • 7SE9 · Crystal structure of human fibrillarin in complex with compound 1 from single soak · 8W1 A401 · binds LEU166, GLY167, GLU191, PHE192, ALA217, ASP236, VAL237, GLN242 and 2 more

Residues it binds most

VAL 6, ALA 6, ASP 6, GLN 6, GLU 6, GLY 6, ILE 6, LEU 6, PHE 6 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • FMT · Formic acid

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