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Ligand · A1AJ8

A1AJ8 · (3-fluorophenyl)(piperazin-1-yl)methanone

A1AJ8, (3-fluorophenyl)(piperazin-1-yl)methanone (C11 H13 F N2 O, 208.2 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…

Component
A1AJ8
Formula
C11 H13 F N2 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

A1AJ8 in 2 structures; the first of them:

  • 7H2M · PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in… · A1AJ8 B204 · binds TYR68, TRP69, SER78, PRO82, TRP83, GLY168, LYS169
  • 7H79 · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · A1AJ8 B203 · binds THR111, GLY112, SER115, GLY117, LYS118, ASP119, ARG144, ASP145 and 1 more

Residues it binds most

GLY 4, ASP 3, TRP 4, LYS 4, SER 4, THR 3, ARG 1, PRO 1, TYR 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • CL · Chloride ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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