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Ligand · R68

R68 · N-{4-[(4-{3-[(2R)-3,3-dimethylpiperidin-2-yl]-2-fluoro-6-hydroxybenzoyl}benzoyl)amino]azepan-3-yl}isonicotinamide

R68, N-{4-[(4-{3-[(2R)-3,3-dimethylpiperidin-2-yl]-2-fluoro-6-hydroxybenzoyl}benzoyl)amino]azepan-3-yl}isonicotinamide (C33 H38 F N5 O4, 587.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
R68
Formula
C33 H38 F N5 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

R68 in 4 structures; the first of them:

  • 1XH5 · Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein… · R68 A1001 · binds LEU49, GLY50, THR51, GLY52, SER53, PHE54, GLY55, ARG56 and 22 more
  • 1XHA · Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein… · R68 A1001 · binds LEU49, GLY50, THR51, GLY52, SER53, PHE54, GLY55, ARG56 and 23 more
  • 1XH5 · Crystal structures of protein kinase B selective inhibitors in complex with protein… · R68 A1001 · binds LEU49, GLY50, THR51, GLY52, SER53, PHE54, GLY55, ARG56 and 22 more
  • 1XHA · Crystal structures of protein kinase B selective inhibitors in complex with protein… · R68 A1001 · binds LEU49, GLY50, THR51, GLY52, SER53, PHE54, GLY55, ARG56 and 23 more

Residues it binds most

GLU 4, GLY 4, LEU 4, ALA 4, PHE 4, THR 4, VAL 4, ASN 4, MET 4, ARG 4 (residue and the binding sites it lines).

Found with

  • BU3 · (R,R)-2,3-butanediol

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