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Ligand · 9KD

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

9KD, N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide (C27 H22 N4 O5, 482.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding…

Component
9KD
Formula
C27 H22 N4 O5
Class
ligand
Structures
2
PDB entries
2

Binding sites

9KD in 2 structures; the first of them:

  • 5VQS · Crystal structure of HIV-1 reverse transcriptase in complex with N-(6… · 9KD A601 · binds PRO95, HIS96, PRO97, LEU100, LYS101, LYS102, LYS103, VAL106 and 12 more
  • 5VQW · Crystal structure of HIV-1 reverse transcriptase (Y181C) variant in complex with… · 9KD A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 11 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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