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Ligand · BQ3

BQ3 · tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate

BQ3, tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate (C14 H20 N2 O2, 248.3 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 residues it…

Component
BQ3
Formula
C14 H20 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

BQ3 in 2 structures; the first of them:

  • 6JIO · Human LXR-beta in complex with a ligand · BQ3 A501 · binds PHE268, PHE271, THR272, LEU274, ALA275, MET312, PHE329, LEU330 and 3 more
  • 6JIO · Human lxr-beta in complex with a ligand · BQ3 A501 · binds PHE268, PHE271, THR272, LEU274, ALA275, MET312, PHE329, LEU330 and 3 more

Residues it binds most

PHE 4, LEU 4, ALA 4, HIS 4, MET 4, ILE 2, THR 2 (residue and the binding sites it lines).

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