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Ligand · N7F

N7F · 6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-4-ylmethyl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

N7F, 6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-4-ylmethyl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile (C29 H27 N7 O, 489.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
N7F
Formula
C29 H27 N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

N7F in 2 structures; the first of them:

  • 4A5S · Crystal structure of human DPP4 in complex with a noval heterocyclic DPP4 inhibitor · N7F A901 · binds ARG125, GLU205, GLU206, PHE357, ASP545, VAL546, TYR547, LYS554 and 12 more
  • 4A5S · Crystal structure of human DPP4 in complex with a noval heterocyclic DPP4 inhibitor · N7F A901 · binds ARG125, GLU205, GLU206, PHE357, ASP545, VAL546, TYR547, LYS554 and 12 more

Residues it binds most

TYR 4, TRP 4, VAL 4, GLU 4, GLY 4, ARG 4, ASP 4, HIS 4, LYS 4, PHE 4 (residue and the binding sites it lines).

Found with

  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion

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