GL1X · GenesisL1 explorer

Ligand · 4VA

4VA · (2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium

4VA, (2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium (C19 H23 Cl F N2 O2 +1, 365.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
4VA
Formula
C19 H23 Cl F N2 O2 +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

4VA in 4 structures; the first of them:

  • 4B73 · Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function · 4VA A1721 · binds TYR56, HIS57, VAL78, ASP79, GLN80, ASP81, ARG155, MET485 and 8 more
  • 4B75 · Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function · 4VA A1721 · binds TYR56, HIS57, VAL78, ASP79, GLN80, ASP81, ARG155, MET485 and 9 more
  • 4B73 · Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function · 4VA A1721 · binds TYR56, HIS57, VAL78, ASP79, GLN80, ASP81, ARG155, MET485 and 8 more
  • 4B75 · Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function · 4VA A1721 · binds TYR56, HIS57, VAL78, ASP79, GLN80, ASP81, ARG155, MET485 and 9 more

Residues it binds most

ASP 8, VAL 8, GLN 8, LEU 8, ARG 8, CYS 8, GLU 8, HIS 8, MET 8, PHE 8 (residue and the binding sites it lines).

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