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Ligand · 2VK

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

2VK, 4-(3-{4-[(S)-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
2VK
Formula
C27 H34 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2VK in 2 structures; the first of them:

  • 4OG4 · Human menin with bound inhibitor MIV-3S · 2VK A602 · binds SER155, LEU177, SER178, GLU179, ASP180, HIS181, ALA182, PHE238 and 12 more
  • 4OG4 · Human menin with bound inhibitor miv-3S · 2VK A602 · binds SER155, LEU177, SER178, GLU179, ASP180, HIS181, ALA182, PHE238 and 12 more

Residues it binds most

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

Found with

  • TBF · Tert-butyl formate
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol

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