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Ligand · 6DG

6DG · (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(7H-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9H)-yl)oxan-3-amine

6DG, (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(7H-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9H)-yl)oxan-3-amine (C19 H19 F2 N5 O, 371.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
6DG
Formula
C19 H19 F2 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

6DG in 2 structures; the first of them:

  • 5ISM · Human DPP4 in complex with a novel 5,5,6-tricyclic pyrrolidine inhibitor · 6DG A811 · binds ARG125, GLU205, GLU206, SER209, PHE357, TYR547, TYR585, SER630 and 8 more
  • 5ISM · Human DPP4 in complex with a novel 5,5,6-tricyclic pyrrolidine inhibitor · 6DG A811 · binds ARG125, GLU205, GLU206, SER209, PHE357, TYR547, TYR585, SER630 and 8 more

Residues it binds most

TYR 4, GLU 4, SER 4, VAL 4, ARG 4, ASN 4, HIS 4, PHE 4, TRP 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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