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Ligand · Q80

Q80 · 2-({[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine

Q80, 2-({[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine (C22 H21 Cl F3 N3 O2 S, 483.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
Q80
Formula
C22 H21 Cl F3 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Q80 in 2 structures; the first of them:

  • 3HOK · X-ray Crystal Structure of Human Heme Oxygenase-1 with (2R… · Q80 B301 · binds ALA28, ALA31, GLU32, ARG35, PHE47, VAL50, LEU54, ARG136 and 8 more
  • 3HOK · X-ray crystal structure of human heme oxygenase-1 with (2R… · Q80 B301 · binds ALA28, ALA31, GLU32, ARG35, PHE47, VAL50, LEU54, ARG136 and 8 more

Residues it binds most

PHE 2, ALA 2, ARG 2, GLU 2, GLY 2, LEU 2, ASP 2, ILE 2, VAL 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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