GL1X · GenesisL1 explorer

Ligand · 715

715 · (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-A mine

715, (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-A mine (C16 H15 F6 N5 O, 407.3 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries).…

Component
715
Formula
C16 H15 F6 N5 O
Class
ligand
Structures
5
PDB entries
3

Binding sites

715 in 5 structures; the first of them:

  • 1X70 · Human dipeptidyl peptidase IV in complex with a beta amino acid inhibitor · 715 A801 · binds ARG125, GLU205, GLU206, VAL207, PHE208, SER209, PHE357, ARG358 and 10 more
  • 4FFW · Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab +… · 715 A801 · binds ARG123, GLU203, GLU204, ILE205, PHE206, GLY207, PHE355, ARG356 and 10 more
  • 7Y4G · sit-bound btDPP4 · 715 A801 · binds ARG113, GLU201, GLU202, GLY204, GLU342, TYR524, SER606, TYR607 and 7 more
  • 1X70 · Human dipeptidyl peptidase IV in complex with a beta amino acid inhibitor · 715 A801 · binds ARG125, GLU205, GLU206, VAL207, PHE208, SER209, PHE357, ARG358 and 10 more
  • 4FFW · Crystal structure of dipeptidyl peptidase IV (DPP4, dpp-IV, CD26) in complex with Fab +… · 715 A801 · binds ARG123, GLU203, GLU204, ILE205, PHE206, GLY207, PHE355, ARG356 and 10 more

Residues it binds most

TYR 11, GLU 11, VAL 11, ARG 11, PHE 8, SER 11, ASN 11, HIS 11, TRP 11, GLY 7 (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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