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Ligand · 9JP

9JP · N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-2-fluoro-N-methylacetamide

9JP, N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-2-fluoro-N-methylacetamide (C27 H23 F N4 O5, 502.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries).…

Component
9JP
Formula
C27 H23 F N4 O5
Class
ligand
Structures
2
PDB entries
2

Binding sites

9JP in 2 structures; the first of them:

  • 5VQQ · Crystal structure of HIV-1 reverse transcriptase in complex with N-(6… · 9JP A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL179, TYR181 and 11 more
  • 5VQU · Crystal structure of HIV-1 reverse transcriptase (Y181C) variant in complex with… · 9JP A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, CYS181, GLN182 and 9 more

Residues it binds most

TYR 2, LEU 2, LYS 2, PRO 2, VAL 2, GLN 2, HIS 2, PHE 2, TRP 2, CYS 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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