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Ligand · OWB

OWB · ~{N}-[3-[6-[(3~{R})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide

OWB, ~{N}-[3-[6-[(3~{R})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide (C22 H23 N5 O2, 389.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
OWB
Formula
C22 H23 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

OWB in 2 structures; the first of them:

  • 6YKD · Human Pim-1 kinase in complex with an inhibitor identified by virtual screening · OWB A400 · binds LEU44, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120, GLU121 and 7 more
  • 6YKD · Human pim-1 kinase in complex with an inhibitor identified by virtual screening · OWB A400 · binds LEU44, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120, GLU121 and 7 more

Residues it binds most

LEU 2, ASP 2, GLU 2, ILE 2, VAL 2, ALA 2, ARG 2, LYS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • GOL · Glycerol

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