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Ligand · H8O

H8O · (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol

H8O, (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol (C17 H16 F6 N2 O, 378.3 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…

Component
H8O
Formula
C17 H16 F6 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

H8O in 2 structures; the first of them:

  • 7DIA · Falcilysin in complex with mefloquine · H8O A1201 · binds PHE82, TYR413, LEU417, ASP451, ASN509, ILE510, ILE513, LEU514 and 6 more
  • 7DIA · Falcilysin in complex with mefloquine · H8O A1201 · binds PHE82, TYR413, ASP451, ILE510, ILE513, LEU514, ALA517, ASP526 and 4 more

Residues it binds most

ILE 2, PHE 2, ASP 2, LEU 2, ALA 2, GLU 2, TYR 2, ASN 1 (residue and the binding sites it lines).

Found with

  • YMZ · (11R,12S)- Mefloquine
  • ZN · Zinc ion
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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