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Ligand · 872

872 · (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one

872, (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one (C17 H19 F6 N3 O2, 411.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
872
Formula
C17 H19 F6 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

872 in 2 structures; the first of them:

  • 2IIT · Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor · 872 A9001 · binds ARG125, GLU205, GLU206, SER209, PHE357, TYR547, SER630, TYR631 and 7 more
  • 2IIT · Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor · 872 A9001 · binds ARG125, GLU205, GLU206, SER209, PHE357, TYR547, SER630, TYR631 and 7 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
  • NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose

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