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Ligand · X2J

X2J · 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate

X2J, 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate (C21 H15 Cl F N3 O7 S, 507.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
X2J
Formula
C21 H15 Cl F N3 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

X2J in 2 structures; the first of them:

  • 7KRC · Crystal Structure of HIV-1 Reverse Transcriptase in Complex with… · X2J A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 14 more
  • 7KRC · Crystal structure of HIV-1 reverse transcriptase in complex with (E)… · X2J A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 14 more

Residues it binds most

LYS 2, VAL 2, LEU 2, PRO 2, TYR 2, GLU 2, GLY 2, HIS 2, PHE 2, TRP 2 (residue and the binding sites it lines).

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