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Ligand · 9HY

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

9HY, N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide (C27 H24 N4 O5, 484.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every…

Component
9HY
Formula
C27 H24 N4 O5
Class
ligand
Structures
2
PDB entries
2

Binding sites

9HY in 2 structures; the first of them:

  • 5VQX · Crystal structure of HIV-1 reverse transcriptase (Y181C) variant in complex with… · 9HY A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL179, CYS181 and 9 more
  • 5VQZ · Crystal structure of HIV-1 reverse transcriptase (K103N, Y181C) variant in complex with… · 9HY A601 · binds PRO95, LEU100, LYS101, LYS102, ASN103, VAL106, VAL179, CYS181 and 9 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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