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Ligand · 2HT

2HT · 3-methylbenzonitrile

2HT, 3-methylbenzonitrile (C8 H7 N, 117.2 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 residues it binds most and the ligands found with it.

Component
2HT
Formula
C8 H7 N
Class
ligand
Structures
2
PDB entries
1

Binding sites

2HT in 2 structures; the first of them:

  • 3F88 · glycogen synthase Kinase 3beta inhibitor complex · 2HT A998 · binds ILE62, GLY63, PHE67, VAL70, THR138, GLN185, ASN186, LEU188 and 2 more
  • 3F88 · Glycogen synthase kinase 3BETA inhibitor complex · 2HT A998 · binds ILE62, GLY63, PHE67, VAL70, THR138, GLN185, ASN186, LEU188 and 2 more

Residues it binds most

ASN 4, ASP 4, CYS 4, GLN 4, GLY 4, ILE 4, LEU 4, PHE 4, THR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • 3HT · 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione

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