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Ligand · 2S6

2S6 · 4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile

2S6, 4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile (C27 H34 N2 O2, 418.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
2S6
Formula
C27 H34 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2S6 in 2 structures; the first of them:

  • 4OG3 · Human menin with bound inhibitor MIV-3R · 2S6 A602 · binds SER155, LEU177, SER178, GLU179, ASP180, HIS181, PHE238, CYS241 and 10 more
  • 4OG3 · Human menin with bound inhibitor miv-3R · 2S6 A602 · binds SER155, LEU177, SER178, GLU179, ASP180, HIS181, PHE238, CYS241 and 10 more

Residues it binds most

ALA 2, GLU 2, MET 2, SER 2, TYR 2, ASP 2, CYS 2, GLY 2, HIS 2, LEU 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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