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Ligand · 1YR

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

1YR, (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile (C21 H15 Br Cl N3 O4, 488.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
1YR
Formula
C21 H15 Br Cl N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

1YR in 2 structures; the first of them:

  • 4LSN · Crystal Structure of HIV-1 Reverse Transcriptase in Complex with… · 1YR A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 12 more
  • 4LSN · Crystal structure of HIV-1 reverse transcriptase in complex with (E)… · 1YR A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179 and 12 more

Residues it binds most

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

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