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Ligand · O20

O20 · (2S)-tert-butoxy[(5m)-5-{2-[(2-chloro-6-methylphenyl) methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid

O20, (2S)-tert-butoxy[(5m)-5-{2-[(2-chloro-6-methylphenyl) methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid (C36 H46 Cl N3 O3, 604.2 g/mol), in the MolNFT structures on GenesisL1…

Component
O20
Formula
C36 H46 Cl N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

O20 in 2 structures; the first of them:

  • 7UOQ · Crystal structure of HIV-1 integrase complexed with… · O20 A301 · binds GLN95, ALA98, TYR99, LEU102, THR124, THR125, LYS127, ALA128 and 3 more
  • 7UOQ · Crystal structure of HIV-1 integrase complexed with (2S)-2-(tert… · O20 A301 · binds GLN95, THR124, THR125, LYS127, ALA128, ALA129, TRP131, TRP132

Residues it binds most

ALA 2, THR 2, TRP 2, GLN 2, LYS 2, LEU 1, TYR 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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