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Ligand · H75

H75 · 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2H)-one

H75, 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2H)-one (C13 H13 Br N2 O, 293.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
H75
Formula
C13 H13 Br N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

H75 in 2 structures; the first of them:

  • 4CHZ · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · H75 A310 · binds VAL77, VAL79, ALA80, SER81, GLY82, ILE84, VAL150, MET154 and 6 more
  • 4CHZ · Interrogating HIV integrase for compounds that bind- a sampl challenge · H75 A1220 · binds VAL77, VAL79, ALA80, SER81, GLY82, ILE84, VAL150, MET154 and 6 more

Residues it binds most

VAL 2, ILE 2, ALA 2, ARG 2, GLU 2, GLY 2, HIS 2, LEU 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol
  • LYS · Lysine

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