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Ligand · 494

494 · (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile

494, (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile (C21 H15 Cl2 N3 O4, 444.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every…

Component
494
Formula
C21 H15 Cl2 N3 O4
Class
ligand
Structures
6
PDB entries
3

Binding sites

494 in 6 structures; the first of them:

  • 4H4M · Crystal Structure of HIV-1 Reverse Transcriptase in Complex with… · 494 A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, LYS104, VAL106, VAL108 and 13 more
  • 4RW4 · Crystal Structure of HIV-1 Reverse Transcriptase (K103N,Y181C) variant in complex with… · 494 A601 · binds PRO95, LEU100, LYS101, LYS102, ASN103, VAL106, VAL108, VAL179 and 12 more
  • 4RW6 · Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with… · 494 A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 11 more
  • 4H4M · Crystal structure of HIV-1 reverse transcriptase in complex with (E)… · 494 A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, LYS104, VAL106, VAL108 and 13 more
  • 4RW4 · Crystal structure of HIV-1 reverse transcriptase (K103N,Y181C) variant in complex with… · 494 A601 · binds PRO95, LEU100, LYS101, LYS102, ASN103, VAL106, VAL108, VAL179 and 12 more
  • 4RW6 · Crystal structure of HIV-1 reverse transcriptase (Y181C) variant in complex with… · 494 A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 11 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol

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