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Ligand · F4R

F4R · N-dodecylmethanethioamide

F4R, N-dodecylmethanethioamide (C13 H27 N S, 229.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
F4R
Formula
C13 H27 N S
Class
ligand
Structures
4
PDB entries
2

Binding sites

F4R in 4 structures; the first of them:

  • 7BOS · Human SIRT2 in complex with myristoyl thiourea inhibitor, No.13 · F4R B6 · binds PHE96, PHE119, PHE131, LEU134, ALA135, LEU138, TYR139, PRO140 and 9 more
  • 7BOT · Human SIRT2 in complex with myristoyl thiourea inhibitor, No.23 · F4R B6 · binds PHE96, PHE119, PHE131, LEU134, ALA135, LEU138, GLN167, ILE169 and 7 more
  • 7BOS · Human SIRT2 in complex with myristoyl thiourea inhibitor, NO.13 · F4R B6 · binds PHE119, PHE131, LEU134, ALA135, TYR139, ILE169, HIS187, ILE232 and 2 more
  • 7BOT · Human SIRT2 in complex with myristoyl thiourea inhibitor, NO.23 · F4R B6 · binds PHE96, PHE119, PHE131, LEU134, ALA135, ILE169, HIS187, ILE232 and 2 more

Residues it binds most

PHE 4, ILE 4, LEU 4, VAL 4, ALA 4, HIS 4, LYS 4, GLN 2, TYR 2, PRO 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • P6S · benzyl hydrogen carbonate
  • NH2 · Amino group

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