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Ligand · X2S

X2S · 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate

X2S, 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate (C19 H13 Cl F N3 O7 S, 481.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
X2S
Formula
C19 H13 Cl F N3 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

X2S in 2 structures; the first of them:

  • 7KRD · Crystal Structure of HIV-1 Reverse Transcriptase in Complex with… · X2S A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 11 more
  • 7KRD · Crystal structure of HIV-1 reverse transcriptase in complex with 4-(3… · X2S A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 11 more

Residues it binds most

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

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