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Ligand · A1BDF

A1BDF · (5R,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine

A1BDF, (5R,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine (C9 H11 N3, 161.2 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
A1BDF
Formula
C9 H11 N3
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1BDF in 1 structure; the first of them:

  • 7HKR · Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA… · A1BDF A1010 · binds LYS388, LYS389, THR390

Residues it binds most

LYS 1, THR 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • PO4 · Phosphate ion
  • DMS · Dimethyl sulfoxide
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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