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Ligand · 3X6

3X6 · (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile

3X6, (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile (C21 H16 Cl N3 O4, 409.8 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site…

Component
3X6
Formula
C21 H16 Cl N3 O4
Class
ligand
Structures
6
PDB entries
3

Binding sites

3X6 in 6 structures; the first of them:

  • 4RW7 · Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) variant in complex with… · 3X6 A601 · binds PRO95, LEU100, LYS101, LYS102, ASN103, VAL106, VAL108, VAL179 and 11 more
  • 4RW8 · Crystal Structure of HIV-1 Reverse Transcriptase in complex with… · 3X6 A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 13 more
  • 4RW9 · Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with… · 3X6 A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 10 more
  • 4RW7 · Crystal structure of HIV-1 reverse transcriptase (K103N, Y181C) variant in complex with… · 3X6 A601 · binds PRO95, LEU100, LYS101, LYS102, ASN103, VAL106, VAL108, VAL179 and 11 more
  • 4RW8 · Crystal structure of HIV-1 reverse transcriptase in complex with (E)… · 3X6 A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 13 more
  • 4RW9 · Crystal structure of HIV-1 reverse transcriptase (Y181C) variant in complex with… · 3X6 A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 10 more

Residues it binds most

VAL 6, LYS 6, LEU 6, PRO 6, TYR 6, GLY 6, HIS 6, PHE 6, TRP 6, CYS 4 (residue and the binding sites it lines).

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