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Ligand · XY4

XY4 · N-phenyl-N'-propan-2-ylurea

XY4, N-phenyl-N'-propan-2-ylurea (C10 H14 N2 O, 178.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
XY4
Formula
C10 H14 N2 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

XY4 in 3 structures; the first of them:

  • 7LFP · SARS-CoV-2 Main protease immature form - F2X Entry Library G05 fragment · XY4 A406 · binds ARG4, LYS5, MET6, ALA7, VAL125, TYR126, GLN127, LYS5 and 5 more
  • 8OHH · PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G05 · XY4 A401 · binds ILE120, ASN121, ALA124, LYS125, GLY226, VAL228, LEU240, THR241 and 2 more
  • 7LFP · SARS-cov-2 main protease immature form - F2X entry library G05 fragment · XY4 A406 · binds ARG4, LYS5, ALA7, VAL125, TYR126, GLN127, LYS5, ALA7 and 1 more

Residues it binds most

ALA 3, LYS 3, GLN 2, VAL 3, TYR 2, ARG 2, LEU 1, MET 1, ASN 1, GLU 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether
  • MG · Magnesium ion

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