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Ligand · DGB

DGB · (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide

DGB, (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide (C24 H29 N3 O2, 391.5 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within…

Component
DGB
Formula
C24 H29 N3 O2
Class
ligand
Structures
8
PDB entries
4

Binding sites

DGB in 8 structures; the first of them:

  • 2G97 · Crystal Structure of Visfatin/Pre-B Cell Colony Enhancing Factor 1/Nicotinamide… · DGB A1001 · binds TYR188, LYS189, HIS191, PHE193, ARG196, ASP219, SER241, VAL242 and 14 more
  • 2GVJ · Crystal Structure of Human NMPRTase in complex with FK866 · DGB A502 · binds TYR188, LYS189, HIS191, PHE193, ARG196, ASP219, VAL242, ALA244 and 14 more
  • 4O1B · The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866 · DGB A601 · binds GLY185, TYR188, LYS189, HIS191, PHE193, ARG196, ARG217, ASP219 and 13 more
  • 4O1D · Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors · DGB A601 · binds TYR188, ARG191, PHE193, ARG196, ASP219, VAL242, ALA244, PRO273 and 10 more
  • 2G97 · Crystal structure of VISFATIN/PRE-B cell colony enhancing factor 1/NICOTINAMIDE… · DGB A1001 · binds TYR188, LYS189, HIS191, PHE193, ARG196, ASP219, SER241, VAL242 and 14 more
  • 2GVJ · Crystal structure of human nmprtase in complex with FK866 · DGB A502 · binds TYR188, LYS189, HIS191, PHE193, ARG196, ASP219, VAL242, ALA244 and 14 more
  • 4O1B · The crystal structure of a mutant nampt (G217R) in complex with an inhibitor APO866 · DGB A601 · binds GLY185, TYR188, LYS189, HIS191, PHE193, ARG196, ARG217, ASP219 and 13 more
  • 4O1D · Structural basis for resistance to diverse classes of nampt inhibitors · DGB A601 · binds TYR188, ARG191, PHE193, ARG196, ASP219, VAL242, ALA244, PRO273 and 10 more

Residues it binds most

ARG 16, ILE 16, TYR 16, VAL 16, ASP 16, ALA 16, SER 16, PRO 12, PHE 16, GLU 12 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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