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Ligand · 2S9

2S9 · 4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile

2S9, 4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile (C27 H33 F N2 O2, 436.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
2S9
Formula
C27 H33 F N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2S9 in 2 structures; the first of them:

  • 4OG6 · Human menin with bound inhibitor MIV-4 · 2S9 A602 · binds SER155, LEU177, SER178, GLU179, ASP180, HIS181, ALA182, PHE238 and 11 more
  • 4OG6 · Human menin with bound inhibitor miv-4 · 2S9 A602 · binds SER155, LEU177, SER178, GLU179, ASP180, HIS181, ALA182, PHE238 and 11 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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