GL1X · GenesisL1 explorer

Ligand · 3TE

3TE · 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

3TE, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (C22 H20 N4 O S2, 420.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
3TE
Formula
C22 H20 N4 O S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

3TE in 4 structures; the first of them:

  • 4RMG · Human Sirt2 in complex with SirReal2 and NAD+ · 3TE A402 · binds ILE93, PHE96, ILE118, PHE119, PHE131, LEU134, ALA135, LEU138 and 11 more
  • 4RMH · Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide · 3TE A402 · binds ILE93, PRO94, PHE96, TYR104, ILE118, PHE119, PHE131, ALA135 and 13 more
  • 4RMG · Human SIRT2 in complex with SIRREAL2 and NAD+ · 3TE A402 · binds ILE93, PHE96, ILE118, PHE119, PHE131, LEU134, ALA135, LEU138 and 11 more
  • 4RMH · Human SIRT2 in complex with SIRREAL2 and ac-lys-H3 peptide · 3TE A402 · binds ILE93, PRO94, PHE96, TYR104, ILE118, PHE119, PHE131, ALA135 and 12 more

Residues it binds most

PHE 4, ILE 4, LEU 4, PRO 4, TYR 4, ALA 4, ASP 4, VAL 4, HIS 2, THR 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • NAD · Nicotinamide-adenine-dinucleotide
  • ALY · N(6)-acetyllysine

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