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Ligand · 3LQ

3LQ · 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile

3LQ, 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile (C23 H17 N3 O4, 399.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues…

Component
3LQ
Formula
C23 H17 N3 O4
Class
ligand
Structures
4
PDB entries
3

Binding sites

3LQ in 4 structures; the first of them:

  • 4WE1 · Crystal Structure of HIV-1 Reverse Transcriptase in Complex with… · 3LQ A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 11 more
  • 8STQ · Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with… · 3LQ A601 · binds LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179, CYS181 and 9 more
  • 8STV · Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with… · 3LQ A604 · binds LEU100, LYS101, LYS102, LYS103, ALA106, VAL108, VAL179, TYR188 and 9 more
  • 4WE1 · Crystal structure of HIV-1 reverse transcriptase in complex with 5-(2… · 3LQ A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 11 more

Residues it binds most

VAL 5, LYS 5, LEU 5, TYR 5, PRO 5, GLY 5, HIS 5, PHE 5, TRP 5, ALA 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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