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Ligand · 474

474 · (2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-6-ylcyclohexyl)butanamide

474, (2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-6-ylcyclohexyl)butanamide (C22 H30 F2 N6 O2, 448.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
474
Formula
C22 H30 F2 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

474 in 2 structures; the first of them:

  • 2QTB · Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor · 474 A1521 · binds ARG125, GLU205, GLU206, VAL207, SER209, PHE357, ARG358, TYR547 and 9 more
  • 2QTB · Human dipeptidyl peptidase IV/CD26 in complex with a 4-aryl cyclohexylalanine inhibitor · 474 A1521 · binds ARG125, GLU205, GLU206, VAL207, SER209, PHE357, ARG358, TYR547 and 9 more

Residues it binds most

TYR 4, VAL 4, ARG 4, GLU 4, SER 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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