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Ligand · X4V

X4V · N~4~,N~4~-dimethylpyridine-2,4-diamine

X4V, N~4~,N~4~-dimethylpyridine-2,4-diamine (C7 H11 N3, 137.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
X4V
Formula
C7 H11 N3
Class
ligand
Structures
4
PDB entries
2

Binding sites

X4V in 4 structures; the first of them:

  • 7KVR · SARS-CoV-2 Main protease immature form - FMAX Library E09 fragment · X4V B703 · binds GLN83, ASN84, LYS88
  • 7ORV · Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239 · X4V A205 · binds LYS43, HIS48, MET63, GLN65, GLU66, THR101
  • 7KVR · SARS-cov-2 main protease immature form - fmax library E09 fragment · X4V B703 · binds GLN83, ASN84, LYS88
  • 7ORV · Non-structural protein 10 (NSP10) from SARS cov-2 in complex with fragment VT00239 · X4V A205 · binds LYS43, HIS48, MET63, GLN65, GLU66, THR101

Residues it binds most

GLN 4, LYS 4, ASN 2, GLU 2, HIS 2, MET 2, THR 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • ZN · Zinc ion
  • CL · Chloride ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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