GL1X · GenesisL1 explorer

Ligand · 506

506 · (2E)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile

506, (2E)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile (C21 H15 F2 N3 O4, 411.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
506
Formula
C21 H15 F2 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

506 in 2 structures; the first of them:

  • 4H4O · Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with… · 506 A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, LYS104, VAL106, VAL108 and 11 more
  • 4H4O · Crystal structure of HIV-1 reverse transcriptase (rt) in complex with… · 506 A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, LYS104, VAL106, VAL108 and 11 more

Residues it binds most

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

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