GL1X · GenesisL1 explorer

Ligand · 417

417 · (1S,2R,5S)-5-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-(2,4,5-trifluorophenyl)cyclohexanamine

417, (1S,2R,5S)-5-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-(2,4,5-trifluorophenyl)cyclohexanamine (C18 H19 F6 N5, 419.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
417
Formula
C18 H19 F6 N5
Class
ligand
Structures
2
PDB entries
1

Binding sites

417 in 2 structures; the first of them:

  • 2P8S · Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor · 417 A1001 · binds ARG125, HIS126, GLU205, GLU206, SER209, PHE357, ARG358, TYR547 and 9 more
  • 2P8S · Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor · 417 A1001 · binds ARG125, HIS126, GLU205, GLU206, SER209, PHE357, ARG358, TYR547 and 9 more

Residues it binds most

TYR 4, GLU 4, HIS 4, SER 4, VAL 4, ARG 4, ASN 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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