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Ligand · A1BDJ

A1BDJ · 5-fluoro-N-(oxan-4-yl)pyridin-2-amine

A1BDJ, 5-fluoro-N-(oxan-4-yl)pyridin-2-amine (C10 H13 F N2 O, 196.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
A1BDJ
Formula
C10 H13 F N2 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

A1BDJ in 2 structures; the first of them:

  • 7HKK · Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA… · A1BDJ A1012 · binds ARG770, LYS841, GLN845, ILE851, GLY852
  • 7HM6 · PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with… · A1BDJ B202 · binds ARG38, THR77, GLN78, ALA184, ALA185, PRO186

Residues it binds most

ALA 1, ARG 2, GLN 2, GLY 1, ILE 1, LYS 1, PRO 1, THR 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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