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Ligand · 80Q

80Q · 2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine

80Q, 2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine (C11 H13 F3 N2 O, 246.2 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, the residues it binds most and…

Component
80Q
Formula
C11 H13 F3 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

80Q in 2 structures; the first of them:

  • 5FZA · Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment… · 80Q A1758 · binds ILE659, GLU662, LYS663, ARG666, GLU667, MET701, TYR736, THR737 and 2 more
  • 5FZA · Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment… · 80Q A1758 · binds ILE659, GLU662, LYS663, ARG666, GLU667, MET701, TYR736, THR737 and 2 more

Residues it binds most

GLU 2, LEU 2, ARG 2, ILE 2, LYS 2, MET 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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