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Ligand · 1YQ

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

1YQ, (2E)-3-(3-{4-chloro-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 2 records (1 PDB entry). Every binding site…

Component
1YQ
Formula
C21 H16 Cl N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

1YQ in 2 structures; the first of them:

  • 4LSL · Crystal Structure of HIV-1 Reverse Transcriptase in Complex with… · 1YQ A601 · binds LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179, TYR181 and 11 more
  • 4LSL · Crystal structure of HIV-1 reverse transcriptase in complex with (E)… · 1YQ A601 · binds LEU100, LYS101, LYS102, LYS103, VAL106, VAL108, VAL179, TYR181 and 11 more

Residues it binds most

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

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